2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

C15H29N3O — CID 77070656

IUPAC2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC(NCC1(CC(N)=NO)CC1)C1CCCCC1
InChIInChI=1S/C15H29N3O/c1-2-13(12-6-4-3-5-7-12)17-11-15(8-9-15)10-14(16)18-19/h12-13,17,19H,2-11H2,1H3,(H2,16,18)
InChIKeyBBRPMXMOXSTSJV-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.85
Rot. Bonds7

About 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070656) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070656
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCCC(NCC1(CC(N)=NO)CC1)C1CCCCC1
InChIInChI=1S/C15H29N3O/c1-2-13(12-6-4-3-5-7-12)17-11-15(8-9-15)10-14(16)18-19/h12-13,17,19H,2-11H2,1H3,(H2,16,18)
InChIKeyBBRPMXMOXSTSJV-UHFFFAOYSA-N
XLogP2.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-amino-N-(1-cyclohexylpropyl)-3-hydroxyiminopropanamide
CID 55209783
1-[(1-cyclohexylpropylamino)methyl]cycloheptan-1-ol
CID 63490367
1-[(1-cyclohexylpropylamino)methyl]cyclohexan-1-ol
CID 62406299
N'-hydroxy-2-[1-[(1-hydroxypentan-3-ylamino)methyl]cyclopropyl]ethanimidamide
CID 104867238
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
3-(1-cyclohexylpropylamino)propanamide
CID 62407529
N'-hydroxy-2-[1-[[(4-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071817
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
N'-hydroxy-2-[1-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
CID 79250305
2-[1-[(but-3-yn-2-ylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104921685
N-(1-cyclohexylpropyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80596824
1-cyclohexyl-N-ethylpropan-1-amine
CID 60817829

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070656) is 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is CCC(NCC1(CC(N)=NO)CC1)C1CCCCC1.
What is the InChIKey of 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is BBRPMXMOXSTSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-13(12-6-4-3-5-7-12)17-11-15(8-9-15)10-14(16)18-19/h12-13,17,19H,2-11H2,1H3,(H2,16,18).
What are the key properties of 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 267.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-cyclohexylpropylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).