nonane-2,3,4,5,6,7,8-heptamine

C9H27N7 — CID 58672678

IUPACnonane-2,3,4,5,6,7,8-heptamine
SMILESCC(N)C(N)C(N)C(N)C(N)C(N)C(C)N
InChIInChI=1S/C9H27N7/c1-3(10)5(12)7(14)9(16)8(15)6(13)4(2)11/h3-9H,10-16H2,1-2H3
InChIKeyMMWOLAHNAMFZOM-UHFFFAOYSA-N
MW233.36 g/mol
LogP-3.68
Rot. Bonds6

About nonane-2,3,4,5,6,7,8-heptamine

nonane-2,3,4,5,6,7,8-heptamine (PubChem CID 58672678) has the molecular formula C9H27N7 and a molecular weight of 233.36 g/mol. Its IUPAC name is nonane-2,3,4,5,6,7,8-heptamine.

Molecular Properties

Compound Namenonane-2,3,4,5,6,7,8-heptamine
PubChem CID58672678
Molecular FormulaC9H27N7
Molecular Weight233.36 g/mol
Exact Mass233.23
IUPAC Namenonane-2,3,4,5,6,7,8-heptamine
SMILESCC(N)C(N)C(N)C(N)C(N)C(N)C(C)N
InChIInChI=1S/C9H27N7/c1-3(10)5(12)7(14)9(16)8(15)6(13)4(2)11/h3-9H,10-16H2,1-2H3
InChIKeyMMWOLAHNAMFZOM-UHFFFAOYSA-N
XLogP-3.68
TPSA182.14 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500233.36
LogP ≤ 5-3.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;pentane-2,3,4-triamine
CID 91203687
(3R)-butane-2,3-diamine
CID 172719520
(2R,3R)-butane-2,3-diamine;dihydrochloride
CID 90474575
(2R)-propane-1,1,2-triamine
CID 164890165
(2R)-3-methylbutan-2-amine
CID 6999786
2-methylpentane-1,3,4-triamine
CID 172814468
4-methylhexane-2,3-diamine
CID 123983512
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
(1S,2S)-1-iodopropane-1,2-diamine
CID 87514719
(2R)-3-aminobutan-2-ol
CID 141331265
(2S)-3-aminobutan-2-ol
CID 90804830
(2S,3R)-3-bromobutan-2-amine
CID 13495075

Frequently Asked Questions

What is the IUPAC name of nonane-2,3,4,5,6,7,8-heptamine?
The IUPAC name of nonane-2,3,4,5,6,7,8-heptamine (CID 58672678) is nonane-2,3,4,5,6,7,8-heptamine.
What is the SMILES notation for nonane-2,3,4,5,6,7,8-heptamine?
The canonical SMILES for nonane-2,3,4,5,6,7,8-heptamine is CC(N)C(N)C(N)C(N)C(N)C(N)C(C)N.
What is the InChIKey of nonane-2,3,4,5,6,7,8-heptamine?
The InChIKey is MMWOLAHNAMFZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H27N7/c1-3(10)5(12)7(14)9(16)8(15)6(13)4(2)11/h3-9H,10-16H2,1-2H3.
What are the key properties of nonane-2,3,4,5,6,7,8-heptamine?
nonane-2,3,4,5,6,7,8-heptamine has a molecular weight of 233.36 g/mol, XLogP of -3.68, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-2,3,4,5,6,7,8-heptamine is sourced from PubChem (CID 58672678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).