1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine

C16H34N2O — CID 106872350

IUPAC1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCCCCN(C(C)C)C1(CN)CCCCC1OC
InChIInChI=1S/C16H34N2O/c1-5-6-9-12-18(14(2)3)16(13-17)11-8-7-10-15(16)19-4/h14-15H,5-13,17H2,1-4H3
InChIKeyNACPWQOCBHKASO-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.17
Rot. Bonds8

About 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine

1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine (PubChem CID 106872350) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
PubChem CID106872350
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine
SMILESCCCCCN(C(C)C)C1(CN)CCCCC1OC
InChIInChI=1S/C16H34N2O/c1-5-6-9-12-18(14(2)3)16(13-17)11-8-7-10-15(16)19-4/h14-15H,5-13,17H2,1-4H3
InChIKeyNACPWQOCBHKASO-UHFFFAOYSA-N
XLogP3.17
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine (CID 106872350) is 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine is CCCCCN(C(C)C)C1(CN)CCCCC1OC.
What is the InChIKey of 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is NACPWQOCBHKASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-6-9-12-18(14(2)3)16(13-17)11-8-7-10-15(16)19-4/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine?
1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methoxy-N-pentyl-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106872350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).