N,2,2-trimethyl-4-propylheptan-3-amine

C13H29N — CID 115854216

IUPACN,2,2-trimethyl-4-propylheptan-3-amine
SMILESCCCC(CCC)C(NC)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-11(10-8-2)12(14-6)13(3,4)5/h11-12,14H,7-10H2,1-6H3
InChIKeyVPQODRGBOJXUHD-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds6

About N,2,2-trimethyl-4-propylheptan-3-amine

N,2,2-trimethyl-4-propylheptan-3-amine (PubChem CID 115854216) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N,2,2-trimethyl-4-propylheptan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-4-propylheptan-3-amine
PubChem CID115854216
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN,2,2-trimethyl-4-propylheptan-3-amine
SMILESCCCC(CCC)C(NC)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-11(10-8-2)12(14-6)13(3,4)5/h11-12,14H,7-10H2,1-6H3
InChIKeyVPQODRGBOJXUHD-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-4-propylheptan-3-amine?
The IUPAC name of N,2,2-trimethyl-4-propylheptan-3-amine (CID 115854216) is N,2,2-trimethyl-4-propylheptan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-4-propylheptan-3-amine?
The canonical SMILES for N,2,2-trimethyl-4-propylheptan-3-amine is CCCC(CCC)C(NC)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-4-propylheptan-3-amine?
The InChIKey is VPQODRGBOJXUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-11(10-8-2)12(14-6)13(3,4)5/h11-12,14H,7-10H2,1-6H3.
What are the key properties of N,2,2-trimethyl-4-propylheptan-3-amine?
N,2,2-trimethyl-4-propylheptan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-4-propylheptan-3-amine is sourced from PubChem (CID 115854216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).