ethane;(5R)-heptane-1,3,5,7-tetramine

C9H26N4 — CID 142330050

IUPACethane;(5R)-heptane-1,3,5,7-tetramine
SMILESCC.NCCC(N)C[C@H](N)CCN
InChIInChI=1S/C7H20N4.C2H6/c8-3-1-6(10)5-7(11)2-4-9;1-2/h6-7H,1-5,8-11H2;1-2H3/t6-,7?;/m1./s1
InChIKeyZEJUHIKUCIXXDF-JVEOKNEYSA-N
MW190.33 g/mol
LogP-0.25
Rot. Bonds6

About ethane;(5R)-heptane-1,3,5,7-tetramine

ethane;(5R)-heptane-1,3,5,7-tetramine (PubChem CID 142330050) has the molecular formula C9H26N4 and a molecular weight of 190.33 g/mol. Its IUPAC name is ethane;(5R)-heptane-1,3,5,7-tetramine.

Molecular Properties

Compound Nameethane;(5R)-heptane-1,3,5,7-tetramine
PubChem CID142330050
Molecular FormulaC9H26N4
Molecular Weight190.33 g/mol
Exact Mass190.22
IUPAC Nameethane;(5R)-heptane-1,3,5,7-tetramine
SMILESCC.NCCC(N)C[C@H](N)CCN
InChIInChI=1S/C7H20N4.C2H6/c8-3-1-6(10)5-7(11)2-4-9;1-2/h6-7H,1-5,8-11H2;1-2H3/t6-,7?;/m1./s1
InChIKeyZEJUHIKUCIXXDF-JVEOKNEYSA-N
XLogP-0.25
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-Aminoheptane
CID 5603
2-Octylamine
CID 12735
3-Heptanamine
CID 34203
2-Undecanamine
CID 114476
2-Aminotridecane
CID 123297
2-Octylamine, (2R)-
CID 2734519
2-Octylamine, (2S)-
CID 6999019
(2S)-heptan-2-amine
CID 2734517
(2R)-heptan-2-amine
CID 6992808
Hexane-2,5-diamine
CID 14849721
6-Aminoundecane
CID 141845
Tridecan-7-amine
CID 574991

Frequently Asked Questions

What is the IUPAC name of ethane;(5R)-heptane-1,3,5,7-tetramine?
The IUPAC name of ethane;(5R)-heptane-1,3,5,7-tetramine (CID 142330050) is ethane;(5R)-heptane-1,3,5,7-tetramine.
What is the SMILES notation for ethane;(5R)-heptane-1,3,5,7-tetramine?
The canonical SMILES for ethane;(5R)-heptane-1,3,5,7-tetramine is CC.NCCC(N)C[C@H](N)CCN.
What is the InChIKey of ethane;(5R)-heptane-1,3,5,7-tetramine?
The InChIKey is ZEJUHIKUCIXXDF-JVEOKNEYSA-N. The full InChI is InChI=1S/C7H20N4.C2H6/c8-3-1-6(10)5-7(11)2-4-9;1-2/h6-7H,1-5,8-11H2;1-2H3/t6-,7?;/m1./s1.
What are the key properties of ethane;(5R)-heptane-1,3,5,7-tetramine?
ethane;(5R)-heptane-1,3,5,7-tetramine has a molecular weight of 190.33 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5R)-heptane-1,3,5,7-tetramine is sourced from PubChem (CID 142330050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).