N-(cyclopropylmethyl)pent-4-yn-1-amine

C9H15N — CID 115656515

IUPACN-(cyclopropylmethyl)pent-4-yn-1-amine
SMILESC#CCCCNCC1CC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-9-5-6-9/h1,9-10H,3-8H2
InChIKeyVEWIROMMEIAAKQ-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.40
Rot. Bonds5

About N-(cyclopropylmethyl)pent-4-yn-1-amine

N-(cyclopropylmethyl)pent-4-yn-1-amine (PubChem CID 115656515) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-(cyclopropylmethyl)pent-4-yn-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)pent-4-yn-1-amine
PubChem CID115656515
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-(cyclopropylmethyl)pent-4-yn-1-amine
SMILESC#CCCCNCC1CC1
InChIInChI=1S/C9H15N/c1-2-3-4-7-10-8-9-5-6-9/h1,9-10H,3-8H2
InChIKeyVEWIROMMEIAAKQ-UHFFFAOYSA-N
XLogP1.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropylmethyl)-N-prop-2-ynylethane-1,2-diamine
CID 79271656
N'-(cyclopropylmethyl)ethane-1,2-diamine
CID 21062197
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
tert-butyl 2-[(pent-4-ynylamino)methyl]pyrrolidine-1-carboxylate
CID 106220536
N-[2-(1-methylpiperidin-4-yl)ethyl]pent-4-yn-1-amine
CID 114515637
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
N-ethylpent-4-yn-1-amine
CID 12615597
4-[(hex-5-ynylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 106216079
5-(cyclopropylmethylamino)pent-1-yn-3-one
CID 165464197
(E)-N,N'-bis[3-(cyclopropylmethylamino)propyl]but-2-ene-1,4-diamine
CID 19956427
1-[(pent-4-ynylamino)methyl]cyclohexan-1-ol
CID 115664087

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)pent-4-yn-1-amine?
The IUPAC name of N-(cyclopropylmethyl)pent-4-yn-1-amine (CID 115656515) is N-(cyclopropylmethyl)pent-4-yn-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)pent-4-yn-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)pent-4-yn-1-amine is C#CCCCNCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)pent-4-yn-1-amine?
The InChIKey is VEWIROMMEIAAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-3-4-7-10-8-9-5-6-9/h1,9-10H,3-8H2.
What are the key properties of N-(cyclopropylmethyl)pent-4-yn-1-amine?
N-(cyclopropylmethyl)pent-4-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)pent-4-yn-1-amine is sourced from PubChem (CID 115656515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).