(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine

C10H21N3 — CID 167260013

IUPAC(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
SMILESCCCCN1C[C@H]2C[C@H](N)[C@@H]1[C@@H]2N
InChIInChI=1S/C10H21N3/c1-2-3-4-13-6-7-5-8(11)10(13)9(7)12/h7-10H,2-6,11-12H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyHNAVHPLXBHOOCV-UTINFBMNSA-N
MW183.30 g/mol
LogP0.15
Rot. Bonds3

About (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine

(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine (PubChem CID 167260013) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine.

Molecular Properties

Compound Name(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
PubChem CID167260013
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine
SMILESCCCCN1C[C@H]2C[C@H](N)[C@@H]1[C@@H]2N
InChIInChI=1S/C10H21N3/c1-2-3-4-13-6-7-5-8(11)10(13)9(7)12/h7-10H,2-6,11-12H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyHNAVHPLXBHOOCV-UTINFBMNSA-N
XLogP0.15
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine?
The IUPAC name of (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine (CID 167260013) is (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine.
What is the SMILES notation for (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine?
The canonical SMILES for (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine is CCCCN1C[C@H]2C[C@H](N)[C@@H]1[C@@H]2N.
What is the InChIKey of (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine?
The InChIKey is HNAVHPLXBHOOCV-UTINFBMNSA-N. The full InChI is InChI=1S/C10H21N3/c1-2-3-4-13-6-7-5-8(11)10(13)9(7)12/h7-10H,2-6,11-12H2,1H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine?
(1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine has a molecular weight of 183.30 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6S,7R)-2-butyl-2-azabicyclo[2.2.1]heptane-6,7-diamine is sourced from PubChem (CID 167260013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).