N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide

C17H27N3 — CID 63464265

IUPACN-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide
SMILESCCCCC1CCC(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C17H27N3/c1-2-3-7-14-10-12-15(13-11-14)17(20-18)19-16-8-5-4-6-9-16/h4-6,8-9,14-15H,2-3,7,10-13,18H2,1H3,(H,19,20)
InChIKeyCGBIEAFCBRSEPB-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.18
Rot. Bonds5

About N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide

N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide (PubChem CID 63464265) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide
PubChem CID63464265
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide
SMILESCCCCC1CCC(/C(=N/c2ccccc2)NN)CC1
InChIInChI=1S/C17H27N3/c1-2-3-7-14-10-12-15(13-11-14)17(20-18)19-16-8-5-4-6-9-16/h4-6,8-9,14-15H,2-3,7,10-13,18H2,1H3,(H,19,20)
InChIKeyCGBIEAFCBRSEPB-UHFFFAOYSA-N
XLogP4.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide?
The IUPAC name of N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide (CID 63464265) is N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide.
What is the SMILES notation for N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide?
The canonical SMILES for N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide is CCCCC1CCC(/C(=N/c2ccccc2)NN)CC1.
What is the InChIKey of N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide?
The InChIKey is CGBIEAFCBRSEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-3-7-14-10-12-15(13-11-14)17(20-18)19-16-8-5-4-6-9-16/h4-6,8-9,14-15H,2-3,7,10-13,18H2,1H3,(H,19,20).
What are the key properties of N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide?
N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide has a molecular weight of 273.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-butyl-N'-phenylcyclohexane-1-carboximidamide is sourced from PubChem (CID 63464265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).