2-methyloctane-1,5,6,7-tetramine

C9H24N4 — CID 57229411

IUPAC2-methyloctane-1,5,6,7-tetramine
SMILESCC(CN)CCC(N)C(N)C(C)N
InChIInChI=1S/C9H24N4/c1-6(5-10)3-4-8(12)9(13)7(2)11/h6-9H,3-5,10-13H2,1-2H3
InChIKeyUSGUKPUABRGABI-UHFFFAOYSA-N
MW188.32 g/mol
LogP-0.64
Rot. Bonds6

About 2-methyloctane-1,5,6,7-tetramine

2-methyloctane-1,5,6,7-tetramine (PubChem CID 57229411) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is 2-methyloctane-1,5,6,7-tetramine.

Molecular Properties

Compound Name2-methyloctane-1,5,6,7-tetramine
PubChem CID57229411
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC Name2-methyloctane-1,5,6,7-tetramine
SMILESCC(CN)CCC(N)C(N)C(C)N
InChIInChI=1S/C9H24N4/c1-6(5-10)3-4-8(12)9(13)7(2)11/h6-9H,3-5,10-13H2,1-2H3
InChIKeyUSGUKPUABRGABI-UHFFFAOYSA-N
XLogP-0.64
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-methylheptane-1,2,3,7-tetramine
CID 91329545
2-methylhexane-1,5-diamine
CID 18314368
(2S)-2-methylbutane-1,4-diamine
CID 51382069
2-methyl-6,6-diphenylhexane-1,5-diamine
CID 174986807
2-methylpentane-1,3,4-triamine
CID 172814468
4-chloro-2-methylbutan-1-amine
CID 18363058
(3S,7R)-2,3,7-trimethylnonan-4-amine
CID 174014223
8-amino-7-methyloctan-1-ol
CID 139899445
1,7-diamino-6-methylheptan-3-ol
CID 88669461
7-amino-6-methylheptan-3-ol
CID 87174577
(2S)-2,6-dimethylheptan-1-amine
CID 13329794
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492

Frequently Asked Questions

What is the IUPAC name of 2-methyloctane-1,5,6,7-tetramine?
The IUPAC name of 2-methyloctane-1,5,6,7-tetramine (CID 57229411) is 2-methyloctane-1,5,6,7-tetramine.
What is the SMILES notation for 2-methyloctane-1,5,6,7-tetramine?
The canonical SMILES for 2-methyloctane-1,5,6,7-tetramine is CC(CN)CCC(N)C(N)C(C)N.
What is the InChIKey of 2-methyloctane-1,5,6,7-tetramine?
The InChIKey is USGUKPUABRGABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N4/c1-6(5-10)3-4-8(12)9(13)7(2)11/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 2-methyloctane-1,5,6,7-tetramine?
2-methyloctane-1,5,6,7-tetramine has a molecular weight of 188.32 g/mol, XLogP of -0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloctane-1,5,6,7-tetramine is sourced from PubChem (CID 57229411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).