azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine

C16H44N6 — CID 87669498

IUPACazane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine
SMILESCCC(CCCN)C(CCCN)(CCCN)CCCN.N.N
InChIInChI=1S/C16H38N4.2H3N/c1-2-15(7-3-11-17)16(8-4-12-18,9-5-13-19)10-6-14-20;;/h15H,2-14,17-20H2,1H3;2*1H3
InChIKeyXGAMKLQJJRFPEJ-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.28
Rot. Bonds14

About azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine

azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine (PubChem CID 87669498) has the molecular formula C16H44N6 and a molecular weight of 320.57 g/mol. Its IUPAC name is azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine.

Molecular Properties

Compound Nameazane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine
PubChem CID87669498
Molecular FormulaC16H44N6
Molecular Weight320.57 g/mol
Exact Mass320.36
IUPAC Nameazane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine
SMILESCCC(CCCN)C(CCCN)(CCCN)CCCN.N.N
InChIInChI=1S/C16H38N4.2H3N/c1-2-15(7-3-11-17)16(8-4-12-18,9-5-13-19)10-6-14-20;;/h15H,2-14,17-20H2,1H3;2*1H3
InChIKeyXGAMKLQJJRFPEJ-UHFFFAOYSA-N
XLogP2.28
TPSA174.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.57
LogP ≤ 52.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
4-(3-aminopropyl)-4-propan-2-ylheptane-1,7-diamine
CID 59061259
azane;4-(2-chloropropan-2-yl)octadecan-1-amine
CID 174713785
20-heptadecyl-19-hexadecyl-20-octadecylnonatriacontane
CID 91224963
5-amino-2-tert-butylpentan-1-ol
CID 59516739
hexane-1,4-diamine;trihydrate
CID 173409010
hexane-1,4-diamine;hydrochloride
CID 118144198
5,5-dibutyl-6-propyltetradecane
CID 151501472
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
3-ethyl-2,2-dimethylheptane
CID 20686447
3,4-diethylnonan-3-amine;hydrobromide
CID 173157604
4-ethoxyhexan-1-amine
CID 21432824

Frequently Asked Questions

What is the IUPAC name of azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine?
The IUPAC name of azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine (CID 87669498) is azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine.
What is the SMILES notation for azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine?
The canonical SMILES for azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine is CCC(CCCN)C(CCCN)(CCCN)CCCN.N.N.
What is the InChIKey of azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine?
The InChIKey is XGAMKLQJJRFPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H38N4.2H3N/c1-2-15(7-3-11-17)16(8-4-12-18,9-5-13-19)10-6-14-20;;/h15H,2-14,17-20H2,1H3;2*1H3.
What are the key properties of azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine?
azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine has a molecular weight of 320.57 g/mol, XLogP of 2.28, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4,4-bis(3-aminopropyl)-5-ethyloctane-1,8-diamine is sourced from PubChem (CID 87669498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).