2-methylpentane-1,5-diamine;pentane-1,5-diamine

C11H30N4 — CID 22378492

IUPAC2-methylpentane-1,5-diamine;pentane-1,5-diamine
SMILESCC(CN)CCCN.NCCCCCN
InChIInChI=1S/C6H16N2.C5H14N2/c1-6(5-8)3-2-4-7;6-4-2-1-3-5-7/h6H,2-5,7-8H2,1H3;1-7H2
InChIKeyFMALOGQBXXBYMD-UHFFFAOYSA-N
MW218.39 g/mol
LogP0.39
Rot. Bonds8

About 2-methylpentane-1,5-diamine;pentane-1,5-diamine

2-methylpentane-1,5-diamine;pentane-1,5-diamine (PubChem CID 22378492) has the molecular formula C11H30N4 and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-methylpentane-1,5-diamine;pentane-1,5-diamine.

Molecular Properties

Compound Name2-methylpentane-1,5-diamine;pentane-1,5-diamine
PubChem CID22378492
Molecular FormulaC11H30N4
Molecular Weight218.39 g/mol
Exact Mass218.25
IUPAC Name2-methylpentane-1,5-diamine;pentane-1,5-diamine
SMILESCC(CN)CCCN.NCCCCCN
InChIInChI=1S/C6H16N2.C5H14N2/c1-6(5-8)3-2-4-7;6-4-2-1-3-5-7/h6H,2-5,7-8H2,1H3;1-7H2
InChIKeyFMALOGQBXXBYMD-UHFFFAOYSA-N
XLogP0.39
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469
(2S)-2-methylbutane-1,4-diamine
CID 51382069
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
8-amino-7-methyloctan-1-ol
CID 139899445
10-amino-9-methyldecane-1-thiol
CID 87559449
4,7-dimethyloctan-1-amine
CID 123439711
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
4-methylheptan-1-amine
CID 18618988
10-amino-3-methyldecanoic acid
CID 2832731
5,9-dimethyloctadecan-1-amine
CID 174923758

Frequently Asked Questions

What is the IUPAC name of 2-methylpentane-1,5-diamine;pentane-1,5-diamine?
The IUPAC name of 2-methylpentane-1,5-diamine;pentane-1,5-diamine (CID 22378492) is 2-methylpentane-1,5-diamine;pentane-1,5-diamine.
What is the SMILES notation for 2-methylpentane-1,5-diamine;pentane-1,5-diamine?
The canonical SMILES for 2-methylpentane-1,5-diamine;pentane-1,5-diamine is CC(CN)CCCN.NCCCCCN.
What is the InChIKey of 2-methylpentane-1,5-diamine;pentane-1,5-diamine?
The InChIKey is FMALOGQBXXBYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2.C5H14N2/c1-6(5-8)3-2-4-7;6-4-2-1-3-5-7/h6H,2-5,7-8H2,1H3;1-7H2.
What are the key properties of 2-methylpentane-1,5-diamine;pentane-1,5-diamine?
2-methylpentane-1,5-diamine;pentane-1,5-diamine has a molecular weight of 218.39 g/mol, XLogP of 0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentane-1,5-diamine;pentane-1,5-diamine is sourced from PubChem (CID 22378492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).