N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine

C14H25N — CID 107448786

IUPACN-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
SMILESC#CCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H25N/c1-5-7-12(4)15-14-9-6-8-13(10-14)11(2)3/h1,11-15H,6-10H2,2-4H3
InChIKeyNPOFKERMWIWRRT-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.20
Rot. Bonds4

About N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine

N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107448786) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
PubChem CID107448786
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
SMILESC#CCC(C)NC1CCCC(C(C)C)C1
InChIInChI=1S/C14H25N/c1-5-7-12(4)15-14-9-6-8-13(10-14)11(2)3/h1,11-15H,6-10H2,2-4H3
InChIKeyNPOFKERMWIWRRT-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.20
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-4-propan-2-ylcycloheptan-1-amine
CID 115763360
N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
CID 106227218
N-(1-methylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448780
N-(1-ethylsulfanylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448809
N-pent-4-yn-2-ylthian-4-amine
CID 115725201
4-(pent-4-yn-2-ylamino)cyclohexan-1-ol
CID 106595148
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
1,2-dimethyl-N-pent-4-yn-2-ylpiperidin-4-amine
CID 115725209
3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
CID 104871826
3-propan-2-yl-N-prop-2-ynylcyclobutan-1-amine
CID 103560670
N-[1-(oxan-4-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 103781048

Frequently Asked Questions

What is the IUPAC name of N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine (CID 107448786) is N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine is C#CCC(C)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is NPOFKERMWIWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-5-7-12(4)15-14-9-6-8-13(10-14)11(2)3/h1,11-15H,6-10H2,2-4H3.
What are the key properties of N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine?
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.20, 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-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107448786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).