(5R)-heptane-3,5-diamine

C7H18N2 — CID 118180613

IUPAC(5R)-heptane-3,5-diamine
SMILESCCC(N)C[C@H](N)CC
InChIInChI=1S/C7H18N2/c1-3-6(8)5-7(9)4-2/h6-7H,3-5,8-9H2,1-2H3/t6-,7?/m1/s1
InChIKeyGZVVDCYSRRRWCX-ULUSZKPHSA-N
MW130.23 g/mol
LogP0.85
Rot. Bonds4

About (5R)-heptane-3,5-diamine

(5R)-heptane-3,5-diamine (PubChem CID 118180613) has the molecular formula C7H18N2 and a molecular weight of 130.23 g/mol. Its IUPAC name is (5R)-heptane-3,5-diamine.

Molecular Properties

Compound Name(5R)-heptane-3,5-diamine
PubChem CID118180613
Molecular FormulaC7H18N2
Molecular Weight130.23 g/mol
Exact Mass130.15
IUPAC Name(5R)-heptane-3,5-diamine
SMILESCCC(N)C[C@H](N)CC
InChIInChI=1S/C7H18N2/c1-3-6(8)5-7(9)4-2/h6-7H,3-5,8-9H2,1-2H3/t6-,7?/m1/s1
InChIKeyGZVVDCYSRRRWCX-ULUSZKPHSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-heptane-3,5-diamine?
The IUPAC name of (5R)-heptane-3,5-diamine (CID 118180613) is (5R)-heptane-3,5-diamine.
What is the SMILES notation for (5R)-heptane-3,5-diamine?
The canonical SMILES for (5R)-heptane-3,5-diamine is CCC(N)C[C@H](N)CC.
What is the InChIKey of (5R)-heptane-3,5-diamine?
The InChIKey is GZVVDCYSRRRWCX-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H18N2/c1-3-6(8)5-7(9)4-2/h6-7H,3-5,8-9H2,1-2H3/t6-,7?/m1/s1.
What are the key properties of (5R)-heptane-3,5-diamine?
(5R)-heptane-3,5-diamine has a molecular weight of 130.23 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-heptane-3,5-diamine is sourced from PubChem (CID 118180613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).