N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine

C10H17N — CID 130481299

IUPACN-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
SMILESC#CC(NCC1CC1)C(C)C
InChIInChI=1S/C10H17N/c1-4-10(8(2)3)11-7-9-5-6-9/h1,8-11H,5-7H2,2-3H3
InChIKeyIVGHUJSCFUDACA-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.64
Rot. Bonds4

About N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine

N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine (PubChem CID 130481299) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
PubChem CID130481299
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
SMILESC#CC(NCC1CC1)C(C)C
InChIInChI=1S/C10H17N/c1-4-10(8(2)3)11-7-9-5-6-9/h1,8-11H,5-7H2,2-3H3
InChIKeyIVGHUJSCFUDACA-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.64
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

4-methyl-N-(2-methylpropyl)pent-1-yn-3-amine
CID 126658180
3-[(but-3-yn-2-ylamino)methyl]cyclopentan-1-ol
CID 106129449
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
1-chloro-N-(cyclopropylmethyl)ethanamine
CID 129153429
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
1-[(1,1-dioxothian-4-yl)methyl]-3-[(3R)-4-methylpent-1-yn-3-yl]urea
CID 100690689
N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
CID 145088274
1-[2-(4-methylpent-1-yn-3-ylamino)acetyl]piperidine-4-carboxylic acid
CID 114202670
N-(cyclohexylmethyl)pent-4-yn-2-amine
CID 115757028
N-(cycloheptylmethyl)pent-1-yn-3-amine
CID 106224416
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine?
The IUPAC name of N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine (CID 130481299) is N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine?
The canonical SMILES for N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine is C#CC(NCC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine?
The InChIKey is IVGHUJSCFUDACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(8(2)3)11-7-9-5-6-9/h1,8-11H,5-7H2,2-3H3.
What are the key properties of N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine?
N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine has a molecular weight of 151.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine is sourced from PubChem (CID 130481299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).