2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine

C9H20N2 — CID 107440897

IUPAC2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCNCC(CN)C(C)C
InChIInChI=1S/C9H20N2/c1-4-5-11-7-9(6-10)8(2)3/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyMQQRSTDOVBAPHH-UHFFFAOYSA-N
MW156.27 g/mol
LogP0.99
Rot. Bonds6

About 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine

2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine (PubChem CID 107440897) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
PubChem CID107440897
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
SMILESC=CCNCC(CN)C(C)C
InChIInChI=1S/C9H20N2/c1-4-5-11-7-9(6-10)8(2)3/h4,8-9,11H,1,5-7,10H2,2-3H3
InChIKeyMQQRSTDOVBAPHH-UHFFFAOYSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 50.99
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

N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
CID 107442722
2-N,2-N-diethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62557121
N'-[2-(diethylamino)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441031
(3S)-3-methyl-1-N-prop-2-enylpent-4-ene-1,2-diamine
CID 155145394
2-methyl-3-(prop-2-enylamino)propan-1-ol
CID 65036515
2,3-dimethyl-N-prop-2-enylpentan-1-amine
CID 10057996
2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844479
2-N-butan-2-yl-2-N-ethyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62568961
1-amino-2-(prop-2-enylamino)ethanol
CID 174652566
2-propan-2-ylsulfanyl-N-prop-2-enylpropan-1-amine
CID 62579087
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine (CID 107440897) is 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine is C=CCNCC(CN)C(C)C.
What is the InChIKey of 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine?
The InChIKey is MQQRSTDOVBAPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-11-7-9(6-10)8(2)3/h4,8-9,11H,1,5-7,10H2,2-3H3.
What are the key properties of 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine?
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine has a molecular weight of 156.27 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine is sourced from PubChem (CID 107440897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).