N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide

C14H29N5O — CID 104887117

IUPACN-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
SMILESCN(C)CC1CC(O)CN1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H29N5O/c1-18(2)9-12-8-13(20)10-19(12)14(17-15)16-11-6-4-3-5-7-11/h11-13,20H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyFVCYHZXKZKLNMX-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.14
Rot. Bonds3

About N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide

N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide (PubChem CID 104887117) has the molecular formula C14H29N5O and a molecular weight of 283.42 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
PubChem CID104887117
Molecular FormulaC14H29N5O
Molecular Weight283.42 g/mol
Exact Mass283.24
IUPAC NameN-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
SMILESCN(C)CC1CC(O)CN1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C14H29N5O/c1-18(2)9-12-8-13(20)10-19(12)14(17-15)16-11-6-4-3-5-7-11/h11-13,20H,3-10,15H2,1-2H3,(H,16,17)
InChIKeyFVCYHZXKZKLNMX-UHFFFAOYSA-N
XLogP0.14
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-4-hydroxy-N'-propylpyrrolidine-1-carboximidamide
CID 66053189
2-[(dimethylamino)methyl]-4-hydroxy-N'-propan-2-ylpyrrolidine-1-carboximidamide
CID 66053382
2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
CID 66053383
2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 66053576
N-amino-N'-cyclohexyl-3-methoxypyrrolidine-1-carboximidamide
CID 103542262
N'-amino-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide
CID 104881894
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 104882320
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(1-methoxypropan-2-yl)pyrrolidine-1-carboximidamide
CID 104887113
N-amino-2-[(dimethylamino)methyl]-N'-(3-ethoxypropyl)-4-hydroxypyrrolidine-1-carboximidamide
CID 104887114
N-amino-2-[(dimethylamino)methyl]-N'-ethyl-4-hydroxypyrrolidine-1-carboximidamide
CID 104887115
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-propylpyrrolidine-1-carboximidamide
CID 104887116
N-amino-2-[(dimethylamino)methyl]-4-hydroxy-N'-(3-methoxypropyl)pyrrolidine-1-carboximidamide
CID 104887118

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide (CID 104887117) is N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide is CN(C)CC1CC(O)CN1/C(=N/C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
The InChIKey is FVCYHZXKZKLNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O/c1-18(2)9-12-8-13(20)10-19(12)14(17-15)16-11-6-4-3-5-7-11/h11-13,20H,3-10,15H2,1-2H3,(H,16,17).
What are the key properties of N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide?
N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide has a molecular weight of 283.42 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-2-[(dimethylamino)methyl]-4-hydroxypyrrolidine-1-carboximidamide is sourced from PubChem (CID 104887117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).