N-pentyl-3-propan-2-ylcyclohexan-1-amine

C14H29N — CID 107447748

IUPACN-pentyl-3-propan-2-ylcyclohexan-1-amine
SMILESCCCCCNC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-4-5-6-10-15-14-9-7-8-13(11-14)12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyUYONCCKAXFCATJ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.98
Rot. Bonds6

About N-pentyl-3-propan-2-ylcyclohexan-1-amine

N-pentyl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107447748) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-pentyl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-pentyl-3-propan-2-ylcyclohexan-1-amine
PubChem CID107447748
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-pentyl-3-propan-2-ylcyclohexan-1-amine
SMILESCCCCCNC1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-4-5-6-10-15-14-9-7-8-13(11-14)12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyUYONCCKAXFCATJ-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-pentyl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-pentyl-3-propan-2-ylcyclohexan-1-amine (CID 107447748) is N-pentyl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-pentyl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-pentyl-3-propan-2-ylcyclohexan-1-amine is CCCCCNC1CCCC(C(C)C)C1.
What is the InChIKey of N-pentyl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is UYONCCKAXFCATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-5-6-10-15-14-9-7-8-13(11-14)12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-pentyl-3-propan-2-ylcyclohexan-1-amine?
N-pentyl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107447748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).