N-tert-butyl-2-methylheptan-3-amine

C12H27N — CID 10888654

IUPACN-tert-butyl-2-methylheptan-3-amine
SMILESCCCCC(NC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-7-8-9-11(10(2)3)13-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyYZZCTYXNIBLLRZ-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.59
Rot. Bonds5

About N-tert-butyl-2-methylheptan-3-amine

N-tert-butyl-2-methylheptan-3-amine (PubChem CID 10888654) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-tert-butyl-2-methylheptan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methylheptan-3-amine
PubChem CID10888654
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-tert-butyl-2-methylheptan-3-amine
SMILESCCCCC(NC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-7-8-9-11(10(2)3)13-12(4,5)6/h10-11,13H,7-9H2,1-6H3
InChIKeyYZZCTYXNIBLLRZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylheptan-3-amine?
The IUPAC name of N-tert-butyl-2-methylheptan-3-amine (CID 10888654) is N-tert-butyl-2-methylheptan-3-amine.
What is the SMILES notation for N-tert-butyl-2-methylheptan-3-amine?
The canonical SMILES for N-tert-butyl-2-methylheptan-3-amine is CCCCC(NC(C)(C)C)C(C)C.
What is the InChIKey of N-tert-butyl-2-methylheptan-3-amine?
The InChIKey is YZZCTYXNIBLLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-8-9-11(10(2)3)13-12(4,5)6/h10-11,13H,7-9H2,1-6H3.
What are the key properties of N-tert-butyl-2-methylheptan-3-amine?
N-tert-butyl-2-methylheptan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylheptan-3-amine is sourced from PubChem (CID 10888654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).