3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine

C13H30N2 — CID 43588449

IUPAC3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
SMILESCCC(CCN)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H30N2/c1-6-13(7-8-14)15(9-11(2)3)10-12(4)5/h11-13H,6-10,14H2,1-5H3
InChIKeyJQCLHZJIWNYNCC-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.73
Rot. Bonds8

About 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine

3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine (PubChem CID 43588449) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
PubChem CID43588449
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine
SMILESCCC(CCN)N(CC(C)C)CC(C)C
InChIInChI=1S/C13H30N2/c1-6-13(7-8-14)15(9-11(2)3)10-12(4)5/h11-13H,6-10,14H2,1-5H3
InChIKeyJQCLHZJIWNYNCC-UHFFFAOYSA-N
XLogP2.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
1-N-(2-methylpropyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 79484278
(2S)-1-[2-methylpropyl(pentan-3-yl)amino]propan-2-ol
CID 103935251
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
1-amino-4-[2-methylpropyl(pentan-3-yl)amino]butan-2-ol
CID 79489819
2-N,2-N-bis(2-methylpropyl)propane-1,2-diamine
CID 61377871
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
2-N-ethyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylbutane-1,2-diamine
CID 79483866
3-N-(2-aminoethyl)-3-N-methylpentane-1,3-diamine
CID 173242515
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine?
The IUPAC name of 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine (CID 43588449) is 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine is CCC(CCN)N(CC(C)C)CC(C)C.
What is the InChIKey of 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine?
The InChIKey is JQCLHZJIWNYNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-6-13(7-8-14)15(9-11(2)3)10-12(4)5/h11-13H,6-10,14H2,1-5H3.
What are the key properties of 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine?
3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methylpropyl)pentane-1,3-diamine is sourced from PubChem (CID 43588449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).