7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine

C13H28N2 — CID 170040826

IUPAC7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine
SMILESC=C(CC(N)CCCNC(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)12(5)9-13(14)7-6-8-15-11(3)4/h10-11,13,15H,5-9,14H2,1-4H3
InChIKeyUQNQMGBWNRSMME-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.69
Rot. Bonds8

About 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine

7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine (PubChem CID 170040826) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine.

Molecular Properties

Compound Name7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine
PubChem CID170040826
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine
SMILESC=C(CC(N)CCCNC(C)C)C(C)C
InChIInChI=1S/C13H28N2/c1-10(2)12(5)9-13(14)7-6-8-15-11(3)4/h10-11,13,15H,5-9,14H2,1-4H3
InChIKeyUQNQMGBWNRSMME-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.69
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

12-methyl-11-methylidene-N-propan-2-yltridecan-1-amine
CID 138727244
1-N-propan-2-yldodecane-1,3-diamine
CID 175283209
N'-propan-2-yloctane-1,8-diamine
CID 138605826
8-hydrazinyl-N-propan-2-yloctan-1-amine
CID 167072309
N-propan-2-ylicosan-1-amine
CID 87246132
4-(propan-2-ylamino)butan-1-ol
CID 12950986
13-methyl-N-propan-2-yltetradecan-1-amine;molecular hydrogen
CID 176932946
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
2-methyl-6-(propan-2-ylamino)hex-1-en-3-one
CID 116558170
N"-(4-aminopentyl)methanetriamine
CID 89061726
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine?
The IUPAC name of 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine (CID 170040826) is 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine.
What is the SMILES notation for 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine?
The canonical SMILES for 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine is C=C(CC(N)CCCNC(C)C)C(C)C.
What is the InChIKey of 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine?
The InChIKey is UQNQMGBWNRSMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)12(5)9-13(14)7-6-8-15-11(3)4/h10-11,13,15H,5-9,14H2,1-4H3.
What are the key properties of 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine?
7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylidene-1-N-propan-2-yloctane-1,4-diamine is sourced from PubChem (CID 170040826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).