(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine

C9H19N3 — CID 145111356

IUPAC(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine
SMILESCC/C(N)=C/N(N)CC1CCC1
InChIInChI=1S/C9H19N3/c1-2-9(10)7-12(11)6-8-4-3-5-8/h7-8H,2-6,10-11H2,1H3/b9-7-
InChIKeyXAFZVWVUKYGMJX-CLFYSBASSA-N
MW169.27 g/mol
LogP1.17
Rot. Bonds4

About (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine

(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine (PubChem CID 145111356) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine
PubChem CID145111356
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine
SMILESCC/C(N)=C/N(N)CC1CCC1
InChIInChI=1S/C9H19N3/c1-2-9(10)7-12(11)6-8-4-3-5-8/h7-8H,2-6,10-11H2,1H3/b9-7-
InChIKeyXAFZVWVUKYGMJX-CLFYSBASSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino(2-piperidin-1-ylethyl)amino]but-1-en-2-amine
CID 118569104
1-(cyclobutylmethyl)-1-methylurea
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1-cyclobutyl-N,N-dimethylmethanamine
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2-[cyclobutylmethyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 77067847
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
2-N-(cyclobutylmethyl)-2-N,2-diethylbutane-1,2-diamine
CID 65459394
3-[cyclobutylmethyl(methyl)amino]pentanethioamide
CID 62861317
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890
ethylcyclobutane;methanamine
CID 175532329
N-(cyclobutylmethyl)-N-methylformamide
CID 64992887
1-(cyclohexylmethyl)-2-ethyl-1-methylguanidine
CID 62364104
2-[cyclobutylmethyl(propan-2-yl)amino]ethanethioamide
CID 65458741

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine (CID 145111356) is (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine is CC/C(N)=C/N(N)CC1CCC1.
What is the InChIKey of (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine?
The InChIKey is XAFZVWVUKYGMJX-CLFYSBASSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-9(10)7-12(11)6-8-4-3-5-8/h7-8H,2-6,10-11H2,1H3/b9-7-.
What are the key properties of (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine?
(Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(cyclobutylmethyl)amino]but-1-en-2-amine is sourced from PubChem (CID 145111356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).