(3S)-2-methylheptane-3,5-diamine

C8H20N2 — CID 145088114

IUPAC(3S)-2-methylheptane-3,5-diamine
SMILESCCC(N)C[C@H](N)C(C)C
InChIInChI=1S/C8H20N2/c1-4-7(9)5-8(10)6(2)3/h6-8H,4-5,9-10H2,1-3H3/t7?,8-/m0/s1
InChIKeyQAATXRZDUGIEKI-MQWKRIRWSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds4

About (3S)-2-methylheptane-3,5-diamine

(3S)-2-methylheptane-3,5-diamine (PubChem CID 145088114) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (3S)-2-methylheptane-3,5-diamine.

Molecular Properties

Compound Name(3S)-2-methylheptane-3,5-diamine
PubChem CID145088114
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(3S)-2-methylheptane-3,5-diamine
SMILESCCC(N)C[C@H](N)C(C)C
InChIInChI=1S/C8H20N2/c1-4-7(9)5-8(10)6(2)3/h6-8H,4-5,9-10H2,1-3H3/t7?,8-/m0/s1
InChIKeyQAATXRZDUGIEKI-MQWKRIRWSA-N
XLogP1.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-heptane-3,5-diamine
CID 118180613
(2S)-pentadecane-2,4,5,7,9,11,13-heptamine
CID 89259490
2-methyloctane-3,6-diamine
CID 88683394
(3R,5S)-5-amino-6-methylheptan-3-ol
CID 53487701
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162
5-methyloctan-3-amine
CID 62599907
1,1-difluoropentan-3-amine
CID 62581791
(3R)-1,1-difluoro-4-methylpentan-3-amine
CID 58921752
pentan-3-amine;hydroiodide
CID 173436389
3,10-diaminododecane-5,8-diol
CID 165390918
heptane-1,3,5-triamine
CID 89360326
hexane-3,4-diamine
CID 12656175

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylheptane-3,5-diamine?
The IUPAC name of (3S)-2-methylheptane-3,5-diamine (CID 145088114) is (3S)-2-methylheptane-3,5-diamine.
What is the SMILES notation for (3S)-2-methylheptane-3,5-diamine?
The canonical SMILES for (3S)-2-methylheptane-3,5-diamine is CCC(N)C[C@H](N)C(C)C.
What is the InChIKey of (3S)-2-methylheptane-3,5-diamine?
The InChIKey is QAATXRZDUGIEKI-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-7(9)5-8(10)6(2)3/h6-8H,4-5,9-10H2,1-3H3/t7?,8-/m0/s1.
What are the key properties of (3S)-2-methylheptane-3,5-diamine?
(3S)-2-methylheptane-3,5-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methylheptane-3,5-diamine is sourced from PubChem (CID 145088114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).