(2R,3R)-2-N-methylheptane-2,3-diamine

C8H20N2 — CID 88890786

IUPAC(2R,3R)-2-N-methylheptane-2,3-diamine
SMILESCCCC[C@@H](N)[C@@H](C)NC
InChIInChI=1S/C8H20N2/c1-4-5-6-8(9)7(2)10-3/h7-8,10H,4-6,9H2,1-3H3/t7-,8-/m1/s1
InChIKeyKJPMXOHJQXWQJN-HTQZYQBOSA-N
MW144.26 g/mol
LogP1.11
Rot. Bonds5

About (2R,3R)-2-N-methylheptane-2,3-diamine

(2R,3R)-2-N-methylheptane-2,3-diamine (PubChem CID 88890786) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2R,3R)-2-N-methylheptane-2,3-diamine.

Molecular Properties

Compound Name(2R,3R)-2-N-methylheptane-2,3-diamine
PubChem CID88890786
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2R,3R)-2-N-methylheptane-2,3-diamine
SMILESCCCC[C@@H](N)[C@@H](C)NC
InChIInChI=1S/C8H20N2/c1-4-5-6-8(9)7(2)10-3/h7-8,10H,4-6,9H2,1-3H3/t7-,8-/m1/s1
InChIKeyKJPMXOHJQXWQJN-HTQZYQBOSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-dimethylheptane-1,2-diamine
CID 89145874
N-methyl-3-propylheptan-2-amine
CID 123465909
1-chlorohexane-1,2-diamine
CID 151875829
2,4-dimethylnonan-5-amine
CID 123957338
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
(3S,4R)-3-methyloct-1-en-4-amine
CID 134994572
(3R)-2-methylundecan-3-amine
CID 167260316
2-methylhexane;propane
CID 143695748
2-methylhexane;dihydrate
CID 155319003
2-methylhexane;hydrochloride
CID 172797630

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-N-methylheptane-2,3-diamine?
The IUPAC name of (2R,3R)-2-N-methylheptane-2,3-diamine (CID 88890786) is (2R,3R)-2-N-methylheptane-2,3-diamine.
What is the SMILES notation for (2R,3R)-2-N-methylheptane-2,3-diamine?
The canonical SMILES for (2R,3R)-2-N-methylheptane-2,3-diamine is CCCC[C@@H](N)[C@@H](C)NC.
What is the InChIKey of (2R,3R)-2-N-methylheptane-2,3-diamine?
The InChIKey is KJPMXOHJQXWQJN-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-5-6-8(9)7(2)10-3/h7-8,10H,4-6,9H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of (2R,3R)-2-N-methylheptane-2,3-diamine?
(2R,3R)-2-N-methylheptane-2,3-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-N-methylheptane-2,3-diamine is sourced from PubChem (CID 88890786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).