1-(1-ethylcyclopropyl)but-3-yn-1-amine

C9H15N — CID 130554148

IUPAC1-(1-ethylcyclopropyl)but-3-yn-1-amine
SMILESC#CCC(N)C1(CC)CC1
InChIInChI=1S/C9H15N/c1-3-5-8(10)9(4-2)6-7-9/h1,8H,4-7,10H2,2H3
InChIKeyAKEHENLVLLCPHY-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.53
Rot. Bonds3

About 1-(1-ethylcyclopropyl)but-3-yn-1-amine

1-(1-ethylcyclopropyl)but-3-yn-1-amine (PubChem CID 130554148) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-(1-ethylcyclopropyl)but-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-ethylcyclopropyl)but-3-yn-1-amine
PubChem CID130554148
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-(1-ethylcyclopropyl)but-3-yn-1-amine
SMILESC#CCC(N)C1(CC)CC1
InChIInChI=1S/C9H15N/c1-3-5-8(10)9(4-2)6-7-9/h1,8H,4-7,10H2,2H3
InChIKeyAKEHENLVLLCPHY-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 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 ≤ 51.53
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-(1-methylcyclohexyl)but-3-yn-1-amine
CID 106829766
1-(1-aminobut-3-ynyl)-N,N,4-trimethylcyclohexan-1-amine
CID 79074584
1-(1-ethylcyclopropyl)-2,2-dimethylpropan-1-amine
CID 130554169
1-ethyl-1-propan-2-ylcyclopropane
CID 22977902
N-ethyl-1-(1-ethylcyclopentyl)prop-2-yn-1-amine
CID 104995634
1-(1-ethylcyclopropyl)prop-2-ene-1,2-diamine
CID 145401139
4-(1-amino-2-fluoroethyl)-4-ethylcyclohexan-1-ol
CID 58380838
1-(1-ethylcyclopentyl)-3-methylidenepentan-1-amine
CID 105006035
3-(1-fluorobut-3-ynyl)-3-(1-fluoropropyl)diaziridine
CID 146583801
1-(1-ethylcyclopropyl)propylhydrazine
CID 130554286
1,1-diethoxypent-4-yn-2-amine
CID 79496062
1-ethyl-1-prop-2-ynylcyclopropane
CID 177343020

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopropyl)but-3-yn-1-amine?
The IUPAC name of 1-(1-ethylcyclopropyl)but-3-yn-1-amine (CID 130554148) is 1-(1-ethylcyclopropyl)but-3-yn-1-amine.
What is the SMILES notation for 1-(1-ethylcyclopropyl)but-3-yn-1-amine?
The canonical SMILES for 1-(1-ethylcyclopropyl)but-3-yn-1-amine is C#CCC(N)C1(CC)CC1.
What is the InChIKey of 1-(1-ethylcyclopropyl)but-3-yn-1-amine?
The InChIKey is AKEHENLVLLCPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-3-5-8(10)9(4-2)6-7-9/h1,8H,4-7,10H2,2H3.
What are the key properties of 1-(1-ethylcyclopropyl)but-3-yn-1-amine?
1-(1-ethylcyclopropyl)but-3-yn-1-amine has a molecular weight of 137.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopropyl)but-3-yn-1-amine is sourced from PubChem (CID 130554148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).