N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine

C12H21N — CID 115723627

IUPACN-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)CC1CC1
InChIInChI=1S/C12H21N/c1-4-6-12(5-2)13-10(3)9-11-7-8-11/h1,10-13H,5-9H2,2-3H3
InChIKeyFAZDKFWPXADINQ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.57
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine

N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine (PubChem CID 115723627) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
PubChem CID115723627
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine
SMILESC#CCC(CC)NC(C)CC1CC1
InChIInChI=1S/C12H21N/c1-4-6-12(5-2)13-10(3)9-11-7-8-11/h1,10-13H,5-9H2,2-3H3
InChIKeyFAZDKFWPXADINQ-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.57
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-(1-cyclopentylpropan-2-yl)hex-5-yn-3-amine
CID 115755956
N-(1-cyclobutylpropan-2-yl)hex-5-yn-3-amine
CID 115723579
2-(1-cyclopropylpropan-2-ylamino)butan-1-ol
CID 115705322
N-pent-4-yn-2-ylpentan-3-amine
CID 115725330
N-(1-cyclopropylpropan-2-yl)-2,6-dimethylheptan-4-amine
CID 63988910
N-hex-5-yn-3-yl-4-methoxy-4-methylpentan-2-amine
CID 115723603
N-[1-(oxolan-3-yl)propyl]hex-5-yn-3-amine
CID 115723659
2-cyclopropyl-N-hex-5-yn-3-ylacetamide
CID 115647127
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
1-cyclohexyl-N-ethylpent-4-yn-2-amine
CID 114977293
N-[1-(1-propylpiperidin-3-yl)ethyl]hex-5-yn-3-amine
CID 113477136
2-(1-cyclopropylpropan-2-ylamino)-4-methylpentan-1-ol
CID 115712084

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine (CID 115723627) is N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine is C#CCC(CC)NC(C)CC1CC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine?
The InChIKey is FAZDKFWPXADINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-4-6-12(5-2)13-10(3)9-11-7-8-11/h1,10-13H,5-9H2,2-3H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine?
N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine has a molecular weight of 179.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)hex-5-yn-3-amine is sourced from PubChem (CID 115723627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).