N-tert-butyl-2,2-dimethylheptan-3-amine

C13H29N — CID 13316188

IUPACN-tert-butyl-2,2-dimethylheptan-3-amine
SMILESCCCCC(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-8-9-10-11(12(2,3)4)14-13(5,6)7/h11,14H,8-10H2,1-7H3
InChIKeyYDSOGFBCGJCWFG-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds4

About N-tert-butyl-2,2-dimethylheptan-3-amine

N-tert-butyl-2,2-dimethylheptan-3-amine (PubChem CID 13316188) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethylheptan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethylheptan-3-amine
PubChem CID13316188
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-tert-butyl-2,2-dimethylheptan-3-amine
SMILESCCCCC(NC(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-8-9-10-11(12(2,3)4)14-13(5,6)7/h11,14H,8-10H2,1-7H3
InChIKeyYDSOGFBCGJCWFG-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethylheptan-3-amine?
The IUPAC name of N-tert-butyl-2,2-dimethylheptan-3-amine (CID 13316188) is N-tert-butyl-2,2-dimethylheptan-3-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethylheptan-3-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethylheptan-3-amine is CCCCC(NC(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-dimethylheptan-3-amine?
The InChIKey is YDSOGFBCGJCWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8-9-10-11(12(2,3)4)14-13(5,6)7/h11,14H,8-10H2,1-7H3.
What are the key properties of N-tert-butyl-2,2-dimethylheptan-3-amine?
N-tert-butyl-2,2-dimethylheptan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethylheptan-3-amine is sourced from PubChem (CID 13316188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).