N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide

C15H29N3 — CID 63462480

IUPACN-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
SMILESNN/C(CC1CCCCC1)=N/C1CCCCCC1
InChIInChI=1S/C15H29N3/c16-18-15(12-13-8-4-3-5-9-13)17-14-10-6-1-2-7-11-14/h13-14H,1-12,16H2,(H,17,18)
InChIKeyDTNGNFYDDYPNTD-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.54
Rot. Bonds3

About N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide

N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide (PubChem CID 63462480) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide.

Molecular Properties

Compound NameN-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
PubChem CID63462480
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-amino-N'-cycloheptyl-2-cyclohexylethanimidamide
SMILESNN/C(CC1CCCCC1)=N/C1CCCCCC1
InChIInChI=1S/C15H29N3/c16-18-15(12-13-8-4-3-5-9-13)17-14-10-6-1-2-7-11-14/h13-14H,1-12,16H2,(H,17,18)
InChIKeyDTNGNFYDDYPNTD-UHFFFAOYSA-N
XLogP3.54
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-amino-2-cycloheptyl-N'-cyclopropylethanimidamide
CID 104928915
N-amino-N'-cyclohexylpropanimidamide
CID 61363512
N-amino-N'-cycloheptyl-2-phenylethanimidamide
CID 61360529
N-amino-N'-cyclohexyl-3-propoxypropanimidamide
CID 62717370
N-amino-N'-cyclopentyl-2-propoxyethanimidamide
CID 107940791
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
N-amino-N'-cycloheptylcycloheptanecarboximidamide
CID 55194306
N-amino-2-(4-chlorophenoxy)-N'-cycloheptylethanimidamide
CID 61363310
N-amino-N'-cyclopentyl-2-phenylsulfanylethanimidamide
CID 79206755
3-amino-2-cyclohexyl-1-(cyclopropylmethyl)-1-methylguanidine
CID 104884329
N,N'-diamino-2-(1-methylpiperidin-4-yl)ethanimidamide
CID 135220152
N-amino-N'-cyclopentyl-4-thiophen-2-ylbutanimidamide
CID 61363103

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide?
The IUPAC name of N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide (CID 63462480) is N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide.
What is the SMILES notation for N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide?
The canonical SMILES for N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide is NN/C(CC1CCCCC1)=N/C1CCCCCC1.
What is the InChIKey of N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide?
The InChIKey is DTNGNFYDDYPNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c16-18-15(12-13-8-4-3-5-9-13)17-14-10-6-1-2-7-11-14/h13-14H,1-12,16H2,(H,17,18).
What are the key properties of N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide?
N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide has a molecular weight of 251.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cycloheptyl-2-cyclohexylethanimidamide is sourced from PubChem (CID 63462480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).