N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine

C16H31NO — CID 82933709

IUPACN-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
SMILESCCCNCC1(C2CCCCCC2)CCOCC1
InChIInChI=1S/C16H31NO/c1-2-11-17-14-16(9-12-18-13-10-16)15-7-5-3-4-6-8-15/h15,17H,2-14H2,1H3
InChIKeyHRRADAZSFCHPDJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine

N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine (PubChem CID 82933709) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
PubChem CID82933709
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine
SMILESCCCNCC1(C2CCCCCC2)CCOCC1
InChIInChI=1S/C16H31NO/c1-2-11-17-14-16(9-12-18-13-10-16)15-7-5-3-4-6-8-15/h15,17H,2-14H2,1H3
InChIKeyHRRADAZSFCHPDJ-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine (CID 82933709) is N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine is CCCNCC1(C2CCCCCC2)CCOCC1.
What is the InChIKey of N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine?
The InChIKey is HRRADAZSFCHPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-11-17-14-16(9-12-18-13-10-16)15-7-5-3-4-6-8-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine?
N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cycloheptyloxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 82933709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).