(3R)-N-tert-butyl-4-methylhexan-3-amine

C11H25N — CID 89089273

IUPAC(3R)-N-tert-butyl-4-methylhexan-3-amine
SMILESCCC(C)[C@@H](CC)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-9(3)10(8-2)12-11(4,5)6/h9-10,12H,7-8H2,1-6H3/t9?,10-/m1/s1
InChIKeyJINOMGGHSBNRJR-QVDQXJPCSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds4

About (3R)-N-tert-butyl-4-methylhexan-3-amine

(3R)-N-tert-butyl-4-methylhexan-3-amine (PubChem CID 89089273) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is (3R)-N-tert-butyl-4-methylhexan-3-amine.

Molecular Properties

Compound Name(3R)-N-tert-butyl-4-methylhexan-3-amine
PubChem CID89089273
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name(3R)-N-tert-butyl-4-methylhexan-3-amine
SMILESCCC(C)[C@@H](CC)NC(C)(C)C
InChIInChI=1S/C11H25N/c1-7-9(3)10(8-2)12-11(4,5)6/h9-10,12H,7-8H2,1-6H3/t9?,10-/m1/s1
InChIKeyJINOMGGHSBNRJR-QVDQXJPCSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-tert-butyl-4-methylhexan-3-amine?
The IUPAC name of (3R)-N-tert-butyl-4-methylhexan-3-amine (CID 89089273) is (3R)-N-tert-butyl-4-methylhexan-3-amine.
What is the SMILES notation for (3R)-N-tert-butyl-4-methylhexan-3-amine?
The canonical SMILES for (3R)-N-tert-butyl-4-methylhexan-3-amine is CCC(C)[C@@H](CC)NC(C)(C)C.
What is the InChIKey of (3R)-N-tert-butyl-4-methylhexan-3-amine?
The InChIKey is JINOMGGHSBNRJR-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H25N/c1-7-9(3)10(8-2)12-11(4,5)6/h9-10,12H,7-8H2,1-6H3/t9?,10-/m1/s1.
What are the key properties of (3R)-N-tert-butyl-4-methylhexan-3-amine?
(3R)-N-tert-butyl-4-methylhexan-3-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-tert-butyl-4-methylhexan-3-amine is sourced from PubChem (CID 89089273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).