N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine

C10H22N2 — CID 107442722

IUPACN'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
SMILESC=CCCNCC(CN)C(C)C
InChIInChI=1S/C10H22N2/c1-4-5-6-12-8-10(7-11)9(2)3/h4,9-10,12H,1,5-8,11H2,2-3H3
InChIKeyAQAWGNGOMWLQMD-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.38
Rot. Bonds7

About N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine

N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 107442722) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID107442722
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
SMILESC=CCCNCC(CN)C(C)C
InChIInChI=1S/C10H22N2/c1-4-5-6-12-8-10(7-11)9(2)3/h4,9-10,12H,1,5-8,11H2,2-3H3
InChIKeyAQAWGNGOMWLQMD-UHFFFAOYSA-N
XLogP1.38
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844479
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
2-propan-2-yl-N'-[2-(trifluoromethylsulfanyl)ethyl]propane-1,3-diamine
CID 106427205
N'-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 106169973
N'-[2-(cyclohexen-1-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441126
2-propan-2-yl-N'-[3-(triazol-1-yl)propyl]propane-1,3-diamine
CID 107442688
N'-cyclopent-3-en-1-yl-2-propan-2-ylpropane-1,3-diamine
CID 107442737
3-(but-3-enylamino)propane-1,2-diol
CID 66175706
N'-[2-(furan-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 65232705

Frequently Asked Questions

What is the IUPAC name of N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine (CID 107442722) is N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine is C=CCCNCC(CN)C(C)C.
What is the InChIKey of N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is AQAWGNGOMWLQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-4-5-6-12-8-10(7-11)9(2)3/h4,9-10,12H,1,5-8,11H2,2-3H3.
What are the key properties of N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine?
N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 107442722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).