2-(2-methylpropyl)heptane-1,3-diamine

C11H26N2 — CID 20848283

IUPAC2-(2-methylpropyl)heptane-1,3-diamine
SMILESCCCCC(N)C(CN)CC(C)C
InChIInChI=1S/C11H26N2/c1-4-5-6-11(13)10(8-12)7-9(2)3/h9-11H,4-8,12-13H2,1-3H3
InChIKeyIZVVMAZZSRGOLG-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.12
Rot. Bonds7

About 2-(2-methylpropyl)heptane-1,3-diamine

2-(2-methylpropyl)heptane-1,3-diamine (PubChem CID 20848283) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 2-(2-methylpropyl)heptane-1,3-diamine.

Molecular Properties

Compound Name2-(2-methylpropyl)heptane-1,3-diamine
PubChem CID20848283
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name2-(2-methylpropyl)heptane-1,3-diamine
SMILESCCCCC(N)C(CN)CC(C)C
InChIInChI=1S/C11H26N2/c1-4-5-6-11(13)10(8-12)7-9(2)3/h9-11H,4-8,12-13H2,1-3H3
InChIKeyIZVVMAZZSRGOLG-UHFFFAOYSA-N
XLogP2.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethylnonan-5-amine
CID 123957338
2-hexyl-6-(8-methylnonoxy)hexane-1,3-diamine
CID 142621085
1,3-diaminoheptan-2-ol
CID 23346836
5-ethyltetradecan-6-amine
CID 115835159
2-(2-methylpropyl)heptan-1-amine
CID 62505521
5,9-diethyltridecane-6,8-diamine
CID 57146972
4-propan-2-yloctan-1-amine
CID 126657786
(4R)-2-methyldecan-4-amine
CID 14572815
7-(2-methylpropyl)-6-pentyltridecane
CID 54089544
2,7-dimethylundecan-4-amine
CID 20767200
2-(2-methylpropyl)decan-1-amine
CID 63498111
2-methyl-4-propylnonan-5-ol
CID 156689465

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)heptane-1,3-diamine?
The IUPAC name of 2-(2-methylpropyl)heptane-1,3-diamine (CID 20848283) is 2-(2-methylpropyl)heptane-1,3-diamine.
What is the SMILES notation for 2-(2-methylpropyl)heptane-1,3-diamine?
The canonical SMILES for 2-(2-methylpropyl)heptane-1,3-diamine is CCCCC(N)C(CN)CC(C)C.
What is the InChIKey of 2-(2-methylpropyl)heptane-1,3-diamine?
The InChIKey is IZVVMAZZSRGOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-5-6-11(13)10(8-12)7-9(2)3/h9-11H,4-8,12-13H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)heptane-1,3-diamine?
2-(2-methylpropyl)heptane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)heptane-1,3-diamine is sourced from PubChem (CID 20848283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).