N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine

C15H27N — CID 106227218

IUPACN-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
SMILESC#CC(CCC)NC1CCCC(C(C)C)C1
InChIInChI=1S/C15H27N/c1-5-8-14(6-2)16-15-10-7-9-13(11-15)12(3)4/h2,12-16H,5,7-11H2,1,3-4H3
InChIKeyVCBRIYDZUJUBKJ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.59
Rot. Bonds5

About N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine

N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine (PubChem CID 106227218) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
PubChem CID106227218
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine
SMILESC#CC(CCC)NC1CCCC(C(C)C)C1
InChIInChI=1S/C15H27N/c1-5-8-14(6-2)16-15-10-7-9-13(11-15)12(3)4/h2,12-16H,5,7-11H2,1,3-4H3
InChIKeyVCBRIYDZUJUBKJ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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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Launch Full Analysis

Related Compounds

N-pentan-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107447751
N-pent-4-yn-2-yl-3-propan-2-ylcyclohexan-1-amine
CID 107448786
N-hex-1-yn-3-yl-1-methylpyrrolidin-3-amine
CID 106225749
N-hex-1-yn-3-yl-5-methylthiolan-3-amine
CID 106225796
N-hex-1-yn-3-yl-2,3-dihydro-1H-inden-2-amine
CID 106227277
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
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-hex-1-yn-3-yl-1-methylsulfonylpiperidin-4-amine
CID 114239294
N-pent-4-yn-2-yl-4-propan-2-ylcycloheptan-1-amine
CID 115763360
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
N-pentan-2-yl-3-propan-2-ylcyclobutan-1-amine
CID 103560702

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine (CID 106227218) is N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine is C#CC(CCC)NC1CCCC(C(C)C)C1.
What is the InChIKey of N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is VCBRIYDZUJUBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-5-8-14(6-2)16-15-10-7-9-13(11-15)12(3)4/h2,12-16H,5,7-11H2,1,3-4H3.
What are the key properties of N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine?
N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 106227218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).