2-methyl-2-pentyl-1-propan-2-ylazepane

C15H31N — CID 168995582

IUPAC2-methyl-2-pentyl-1-propan-2-ylazepane
SMILESCCCCCC1(C)CCCCCN1C(C)C
InChIInChI=1S/C15H31N/c1-5-6-8-11-15(4)12-9-7-10-13-16(15)14(2)3/h14H,5-13H2,1-4H3
InChIKeyMSRKCNKGQYBZPX-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.61
Rot. Bonds5

About 2-methyl-2-pentyl-1-propan-2-ylazepane

2-methyl-2-pentyl-1-propan-2-ylazepane (PubChem CID 168995582) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-methyl-2-pentyl-1-propan-2-ylazepane.

Molecular Properties

Compound Name2-methyl-2-pentyl-1-propan-2-ylazepane
PubChem CID168995582
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-methyl-2-pentyl-1-propan-2-ylazepane
SMILESCCCCCC1(C)CCCCCN1C(C)C
InChIInChI=1S/C15H31N/c1-5-6-8-11-15(4)12-9-7-10-13-16(15)14(2)3/h14H,5-13H2,1-4H3
InChIKeyMSRKCNKGQYBZPX-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-(2-methyl-1-propan-2-ylpiperidin-2-yl)ethanamine
CID 167202076
2,2-dimethyl-1-(1-pentylsulfanylethyl)piperidine
CID 139940363
1-chloro-1-hexylcyclohexane
CID 57072771
1-methyl-1-undecylcyclohexane
CID 86137257
1,1-dipentylcyclononane
CID 169026027
2-(2-methylpropyl)-1-propan-2-yl-2-propylpyrrolidine
CID 147281486
2-pentyl-2-propan-2-ylazepane
CID 79119110
N-[(1-decylcyclohexyl)methyl]propan-2-amine
CID 63507131
1-decyl-1,2,2-trimethylcyclooctane
CID 150686045
(1-hexylcyclohexyl)methanol
CID 66024993
4-nonyl-1-propan-2-ylpiperidin-4-ol
CID 65146910
1,1-di(nonyl)cyclopentane
CID 154318487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-pentyl-1-propan-2-ylazepane?
The IUPAC name of 2-methyl-2-pentyl-1-propan-2-ylazepane (CID 168995582) is 2-methyl-2-pentyl-1-propan-2-ylazepane.
What is the SMILES notation for 2-methyl-2-pentyl-1-propan-2-ylazepane?
The canonical SMILES for 2-methyl-2-pentyl-1-propan-2-ylazepane is CCCCCC1(C)CCCCCN1C(C)C.
What is the InChIKey of 2-methyl-2-pentyl-1-propan-2-ylazepane?
The InChIKey is MSRKCNKGQYBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-5-6-8-11-15(4)12-9-7-10-13-16(15)14(2)3/h14H,5-13H2,1-4H3.
What are the key properties of 2-methyl-2-pentyl-1-propan-2-ylazepane?
2-methyl-2-pentyl-1-propan-2-ylazepane has a molecular weight of 225.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-pentyl-1-propan-2-ylazepane is sourced from PubChem (CID 168995582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).