2-methyl-1-N'-pentylprop-1-ene-1,1-diamine

C9H20N2 — CID 155015194

IUPAC2-methyl-1-N'-pentylprop-1-ene-1,1-diamine
SMILESCCCCCNC(N)=C(C)C
InChIInChI=1S/C9H20N2/c1-4-5-6-7-11-9(10)8(2)3/h11H,4-7,10H2,1-3H3
InChIKeyHGVMIIAUYYULAT-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.98
Rot. Bonds5

About 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine

2-methyl-1-N'-pentylprop-1-ene-1,1-diamine (PubChem CID 155015194) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N'-pentylprop-1-ene-1,1-diamine
PubChem CID155015194
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-methyl-1-N'-pentylprop-1-ene-1,1-diamine
SMILESCCCCCNC(N)=C(C)C
InChIInChI=1S/C9H20N2/c1-4-5-6-7-11-9(10)8(2)3/h11H,4-7,10H2,1-3H3
InChIKeyHGVMIIAUYYULAT-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-N'-octadecylprop-1-ene-1,1-diamine
CID 21569542
5-Methyl-1,2,3,4-tetrahydropyridin-6-amine
CID 21721294
(Z)-1-N',2-N'-dipentylethene-1,1,2,2-tetramine
CID 88897445
5-[(Dimethylamino)methyl]-1,2,3,4-tetrahydropyridin-6-amine
CID 117805529
(2Z)-3-methyl-1-azacyclododec-2-en-2-amine
CID 155373345
2-methyl-1-N'-(2-methylbutyl)prop-1-ene-1,1-diamine
CID 166808880
1-cyclobutylidene-N'-pentylmethanediamine
CID 169971990
2-methyl-1-N'-propylprop-1-ene-1,1-diamine
CID 142289409
(E)-2-methyl-1-N'-propylbut-1-ene-1,1-diamine
CID 143663182
2-methyl-1-N'-propylbut-1-ene-1,1-diamine
CID 143663289
1-N'-butyl-2-methylprop-1-ene-1,1-diamine
CID 172564850
(Z)-1-N'-butyl-2-methylbut-1-ene-1,1-diamine
CID 178759525

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine?
The IUPAC name of 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine (CID 155015194) is 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine?
The canonical SMILES for 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine is CCCCCNC(N)=C(C)C.
What is the InChIKey of 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine?
The InChIKey is HGVMIIAUYYULAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-6-7-11-9(10)8(2)3/h11H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine?
2-methyl-1-N'-pentylprop-1-ene-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N'-pentylprop-1-ene-1,1-diamine is sourced from PubChem (CID 155015194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).