1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine

C10H20N2 — CID 137401213

IUPAC1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine
SMILESC=CCCCNC(NC)=C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-8-12-10(11-4)9(2)3/h5,11-12H,1,6-8H2,2-4H3
InChIKeyOKDAEJOETGJYTG-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.01
Rot. Bonds6

About 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine

1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine (PubChem CID 137401213) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine
PubChem CID137401213
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine
SMILESC=CCCCNC(NC)=C(C)C
InChIInChI=1S/C10H20N2/c1-5-6-7-8-12-10(11-4)9(2)3/h5,11-12H,1,6-8H2,2-4H3
InChIKeyOKDAEJOETGJYTG-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.01
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

1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]ethane-1,1-diamine
CID 88569863
N-methyl-N'-(2-methylhex-4-enyl)methanediamine
CID 123657168
1-N'-(3-methylpent-4-enyl)ethane-1,1-diamine
CID 123896633
1-N-methyl-1-N'-propylbut-3-ene-1,1-diamine
CID 129016122
N-butyl-3-ethyl-1-methyl-4H-pyridin-2-amine
CID 129238810
2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine
CID 130452255
(1S)-1-N'-[(1Z)-2-ethylbuta-1,3-dienyl]-1-N-(2-methylpropyl)ethane-1,1-diamine
CID 132001539
(1E)-1-N',2-diethylbuta-1,3-diene-1,1-diamine
CID 132197022
5-ethenyl-N-methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134461848
5-ethenyl-N,N-dimethyl-1,2,3,4-tetrahydropyridin-6-amine
CID 134510719
(1E,4Z)-1-N'-ethyl-2-methylhexa-1,4-diene-1,1-diamine
CID 137401131
N'-(3-methylidenepenta-1,4-dien-2-yl)-N-propylmethanediamine
CID 137492519

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine (CID 137401213) is 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine is C=CCCCNC(NC)=C(C)C.
What is the InChIKey of 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine?
The InChIKey is OKDAEJOETGJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-8-12-10(11-4)9(2)3/h5,11-12H,1,6-8H2,2-4H3.
What are the key properties of 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine?
1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine has a molecular weight of 168.28 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N'-pent-4-enylprop-1-ene-1,1-diamine is sourced from PubChem (CID 137401213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).