N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine

C9H15N — CID 65419542

IUPACN-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine
SMILESC#CCC(NC)C1CC1C
InChIInChI=1S/C9H15N/c1-4-5-9(10-3)8-6-7(8)2/h1,7-10H,5-6H2,2-3H3
InChIKeyYYZXKQSHHJHGNS-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine

N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine (PubChem CID 65419542) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine
PubChem CID65419542
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC NameN-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine
SMILESC#CCC(NC)C1CC1C
InChIInChI=1S/C9H15N/c1-4-5-9(10-3)8-6-7(8)2/h1,7-10H,5-6H2,2-3H3
InChIKeyYYZXKQSHHJHGNS-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.25
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

1-cyclopropyl-N-methylbut-3-yn-1-amine
CID 62234254
N-methyl-1-(2-methylcyclopropyl)pentan-1-amine
CID 65419536
N-methyl-1-(2-methylcyclopropyl)but-3-en-1-amine
CID 65422775
N-methyl-1-(2-methylcyclopropyl)undecan-1-amine
CID 65419745
N-ethyl-1-(3-methylcyclopentyl)but-3-yn-1-amine
CID 65414993
1-cyclopropyl-N-methylpent-4-yn-1-amine
CID 63657715
1-(1,1-dioxothian-2-yl)-N-methylbut-3-yn-1-amine
CID 114977650
1-(3-ethyl-1,4-dithian-2-yl)-N-methylbut-3-yn-1-amine
CID 115387903
N-ethyl-1-(4-methylcyclohexyl)but-3-yn-1-amine
CID 62233351
2-(4-bromophenyl)-N-methyl-1-(2-methylcyclopropyl)ethanamine
CID 61065850
1-(2-methylcyclopropyl)pent-4-yn-1-amine
CID 65422769
1-(1-adamantyl)-N-methylbut-3-yn-1-amine
CID 62796404

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine?
The IUPAC name of N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine (CID 65419542) is N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine.
What is the SMILES notation for N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine?
The canonical SMILES for N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine is C#CCC(NC)C1CC1C.
What is the InChIKey of N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine?
The InChIKey is YYZXKQSHHJHGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-4-5-9(10-3)8-6-7(8)2/h1,7-10H,5-6H2,2-3H3.
What are the key properties of N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine?
N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylcyclopropyl)but-3-yn-1-amine is sourced from PubChem (CID 65419542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).