azane;butane-1,3-diamine;pentane-1,3-diamine

C9H29N5 — CID 174966617

IUPACazane;butane-1,3-diamine;pentane-1,3-diamine
SMILESCC(N)CCN.CCC(N)CCN.N
InChIInChI=1S/C5H14N2.C4H12N2.H3N/c1-2-5(7)3-4-6;1-4(6)2-3-5;/h5H,2-4,6-7H2,1H3;4H,2-3,5-6H2,1H3;1H3
InChIKeyJBGMORHLJLPTHW-UHFFFAOYSA-N
MW207.37 g/mol
LogP-0.08
Rot. Bonds5

About azane;butane-1,3-diamine;pentane-1,3-diamine

azane;butane-1,3-diamine;pentane-1,3-diamine (PubChem CID 174966617) has the molecular formula C9H29N5 and a molecular weight of 207.37 g/mol. Its IUPAC name is azane;butane-1,3-diamine;pentane-1,3-diamine.

Molecular Properties

Compound Nameazane;butane-1,3-diamine;pentane-1,3-diamine
PubChem CID174966617
Molecular FormulaC9H29N5
Molecular Weight207.37 g/mol
Exact Mass207.24
IUPAC Nameazane;butane-1,3-diamine;pentane-1,3-diamine
SMILESCC(N)CCN.CCC(N)CCN.N
InChIInChI=1S/C5H14N2.C4H12N2.H3N/c1-2-5(7)3-4-6;1-4(6)2-3-5;/h5H,2-4,6-7H2,1H3;4H,2-3,5-6H2,1H3;1H3
InChIKeyJBGMORHLJLPTHW-UHFFFAOYSA-N
XLogP-0.08
TPSA139.08 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

heptane-1,3,5-triamine
CID 89360326
hydrogen sulfite;pentane-1,3-diamine
CID 174426349
hexane-1,4-diamine;hydrochloride
CID 118144198
2-methyloctane-3,6-diamine
CID 88683394
hexane-1,4-diamine;trihydrate
CID 173409010
tetradecane-3,6,9,12-tetramine
CID 140993886
octane-1,3,6,8-tetramine
CID 18680656
(5R)-hexane-2,5-diamine
CID 144618459
ethane;hexan-3-amine
CID 143616305
ethane;(5R)-heptane-1,3,5,7-tetramine
CID 142330050
(3R,6R)-3-ethyl-6,7-dimethyloctan-1-amine
CID 163936645
(2S)-pentan-2-amine
CID 6997344

Frequently Asked Questions

What is the IUPAC name of azane;butane-1,3-diamine;pentane-1,3-diamine?
The IUPAC name of azane;butane-1,3-diamine;pentane-1,3-diamine (CID 174966617) is azane;butane-1,3-diamine;pentane-1,3-diamine.
What is the SMILES notation for azane;butane-1,3-diamine;pentane-1,3-diamine?
The canonical SMILES for azane;butane-1,3-diamine;pentane-1,3-diamine is CC(N)CCN.CCC(N)CCN.N.
What is the InChIKey of azane;butane-1,3-diamine;pentane-1,3-diamine?
The InChIKey is JBGMORHLJLPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2.C4H12N2.H3N/c1-2-5(7)3-4-6;1-4(6)2-3-5;/h5H,2-4,6-7H2,1H3;4H,2-3,5-6H2,1H3;1H3.
What are the key properties of azane;butane-1,3-diamine;pentane-1,3-diamine?
azane;butane-1,3-diamine;pentane-1,3-diamine has a molecular weight of 207.37 g/mol, XLogP of -0.08, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;butane-1,3-diamine;pentane-1,3-diamine is sourced from PubChem (CID 174966617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).