1,7-diamino-6-methylheptan-3-ol

C8H20N2O — CID 88669461

IUPAC1,7-diamino-6-methylheptan-3-ol
SMILESCC(CN)CCC(O)CCN
InChIInChI=1S/C8H20N2O/c1-7(6-10)2-3-8(11)4-5-9/h7-8,11H,2-6,9-10H2,1H3
InChIKeyIRLTWLDYVLMYQG-UHFFFAOYSA-N
MW160.26 g/mol
LogP0.07
Rot. Bonds6

About 1,7-diamino-6-methylheptan-3-ol

1,7-diamino-6-methylheptan-3-ol (PubChem CID 88669461) has the molecular formula C8H20N2O and a molecular weight of 160.26 g/mol. Its IUPAC name is 1,7-diamino-6-methylheptan-3-ol.

Molecular Properties

Compound Name1,7-diamino-6-methylheptan-3-ol
PubChem CID88669461
Molecular FormulaC8H20N2O
Molecular Weight160.26 g/mol
Exact Mass160.16
IUPAC Name1,7-diamino-6-methylheptan-3-ol
SMILESCC(CN)CCC(O)CCN
InChIInChI=1S/C8H20N2O/c1-7(6-10)2-3-8(11)4-5-9/h7-8,11H,2-6,9-10H2,1H3
InChIKeyIRLTWLDYVLMYQG-UHFFFAOYSA-N
XLogP0.07
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-6-methylheptan-3-ol
CID 87174577
(2S)-2-methylbutane-1,4-diamine
CID 51382069
1-amino-5-methylheptan-2-ol
CID 54546021
2-methylhexane-1,5-diamine
CID 18314368
1-amino-4,4-dimethylpentan-3-ol
CID 55283756
4,10-dimethyltridecan-7-ol
CID 10633137
1-aminooctan-3-ol
CID 21436343
(3R)-1-aminooctan-3-ol
CID 22797502
2,6-diaminohexane-2,4-diol
CID 90758959
(4R)-6-aminohexane-1,4-diol
CID 89292424
2-methylpentane-1,5-diamine;pentane-1,5-diamine
CID 22378492
2,4-dimethylhexane-1,6-diamine;ethane
CID 142019554

Frequently Asked Questions

What is the IUPAC name of 1,7-diamino-6-methylheptan-3-ol?
The IUPAC name of 1,7-diamino-6-methylheptan-3-ol (CID 88669461) is 1,7-diamino-6-methylheptan-3-ol.
What is the SMILES notation for 1,7-diamino-6-methylheptan-3-ol?
The canonical SMILES for 1,7-diamino-6-methylheptan-3-ol is CC(CN)CCC(O)CCN.
What is the InChIKey of 1,7-diamino-6-methylheptan-3-ol?
The InChIKey is IRLTWLDYVLMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O/c1-7(6-10)2-3-8(11)4-5-9/h7-8,11H,2-6,9-10H2,1H3.
What are the key properties of 1,7-diamino-6-methylheptan-3-ol?
1,7-diamino-6-methylheptan-3-ol has a molecular weight of 160.26 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diamino-6-methylheptan-3-ol is sourced from PubChem (CID 88669461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).