N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine

C15H27N — CID 115763360

IUPACN-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
SMILESC#CCC(C)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C15H27N/c1-5-7-13(4)16-15-9-6-8-14(10-11-15)12(2)3/h1,12-16H,6-11H2,2-4H3
InChIKeyRQAURGKKEKDEIK-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds4

About N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine

N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine (PubChem CID 115763360) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
PubChem CID115763360
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
SMILESC#CCC(C)NC1CCCC(C(C)C)CC1
InChIInChI=1S/C15H27N/c1-5-7-13(4)16-15-9-6-8-14(10-11-15)12(2)3/h1,12-16H,6-11H2,2-4H3
InChIKeyRQAURGKKEKDEIK-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
4-(pent-4-yn-2-ylamino)cyclohexan-1-ol
CID 106595148
N-pent-4-yn-2-ylthian-4-amine
CID 115725201
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
N-[(1S)-1-cycloheptylethyl]-4-propan-2-ylcycloheptan-1-amine
CID 81389643
N-(1-cyclohexylethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091327
3-[(4-methylcycloheptyl)amino]butanenitrile
CID 102795029
3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
CID 104871826
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-[1-(4-fluorophenyl)propan-2-yl]-4-propan-2-ylcycloheptan-1-amine
CID 65091426
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
CID 115725209

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine (CID 115763360) is N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine is C#CCC(C)NC1CCCC(C(C)C)CC1.
What is the InChIKey of N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is RQAURGKKEKDEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-5-7-13(4)16-15-9-6-8-14(10-11-15)12(2)3/h1,12-16H,6-11H2,2-4H3.
What are the key properties of N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine?
N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 115763360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).