(2R,3S)-3-methylheptane-2,6-diamine

C8H20N2 — CID 174083116

IUPAC(2R,3S)-3-methylheptane-2,6-diamine
SMILESCC(N)CC[C@H](C)[C@@H](C)N
InChIInChI=1S/C8H20N2/c1-6(8(3)10)4-5-7(2)9/h6-8H,4-5,9-10H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyWTQZTJHGJSNPGT-YPVSKDHRSA-N
MW144.26 g/mol
LogP1.10
Rot. Bonds4

About (2R,3S)-3-methylheptane-2,6-diamine

(2R,3S)-3-methylheptane-2,6-diamine (PubChem CID 174083116) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2R,3S)-3-methylheptane-2,6-diamine.

Molecular Properties

Compound Name(2R,3S)-3-methylheptane-2,6-diamine
PubChem CID174083116
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2R,3S)-3-methylheptane-2,6-diamine
SMILESCC(N)CC[C@H](C)[C@@H](C)N
InChIInChI=1S/C8H20N2/c1-6(8(3)10)4-5-7(2)9/h6-8H,4-5,9-10H2,1-3H3/t6-,7?,8+/m0/s1
InChIKeyWTQZTJHGJSNPGT-YPVSKDHRSA-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)-hexane-2,5-diamine
CID 144618459
(2S,3S)-6-iodo-3-methylhexan-2-amine
CID 174324402
(E)-hex-1-ene-1,5-diamine
CID 88688497
(5R)-5-aminohexan-2-ol
CID 144692574
pentadecane-2,6,10,14-tetramine
CID 164971565
2-methylhexane-1,5-diamine
CID 18314368
4-methylphosphanylbutan-2-amine
CID 170035642
4,4-diamino-3-methylbutan-1-ol
CID 87068765
docosane-2,21-diamine
CID 150079956
(2S)-pentan-2-amine
CID 6997344
5-methylheptan-2-amine;hydrochloride
CID 127255592
(2R,5R)-5-amino-2-methylhexan-1-ol
CID 167005595

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methylheptane-2,6-diamine?
The IUPAC name of (2R,3S)-3-methylheptane-2,6-diamine (CID 174083116) is (2R,3S)-3-methylheptane-2,6-diamine.
What is the SMILES notation for (2R,3S)-3-methylheptane-2,6-diamine?
The canonical SMILES for (2R,3S)-3-methylheptane-2,6-diamine is CC(N)CC[C@H](C)[C@@H](C)N.
What is the InChIKey of (2R,3S)-3-methylheptane-2,6-diamine?
The InChIKey is WTQZTJHGJSNPGT-YPVSKDHRSA-N. The full InChI is InChI=1S/C8H20N2/c1-6(8(3)10)4-5-7(2)9/h6-8H,4-5,9-10H2,1-3H3/t6-,7?,8+/m0/s1.
What are the key properties of (2R,3S)-3-methylheptane-2,6-diamine?
(2R,3S)-3-methylheptane-2,6-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 (2R,3S)-3-methylheptane-2,6-diamine is sourced from PubChem (CID 174083116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).