4,4,5-trimethyl-N-propylheptan-2-amine

C13H29N — CID 79446561

IUPAC4,4,5-trimethyl-N-propylheptan-2-amine
SMILESCCCNC(C)CC(C)(C)C(C)CC
InChIInChI=1S/C13H29N/c1-7-9-14-12(4)10-13(5,6)11(3)8-2/h11-12,14H,7-10H2,1-6H3
InChIKeyJWTGPJSMBDZDCB-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.84
Rot. Bonds7

About 4,4,5-trimethyl-N-propylheptan-2-amine

4,4,5-trimethyl-N-propylheptan-2-amine (PubChem CID 79446561) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 4,4,5-trimethyl-N-propylheptan-2-amine.

Molecular Properties

Compound Name4,4,5-trimethyl-N-propylheptan-2-amine
PubChem CID79446561
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name4,4,5-trimethyl-N-propylheptan-2-amine
SMILESCCCNC(C)CC(C)(C)C(C)CC
InChIInChI=1S/C13H29N/c1-7-9-14-12(4)10-13(5,6)11(3)8-2/h11-12,14H,7-10H2,1-6H3
InChIKeyJWTGPJSMBDZDCB-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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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Related Compounds

4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
4,4-dimethyl-N-propyldodecan-2-amine
CID 64716818
(2H)iodane;N-propylbutan-2-amine
CID 160782338
4,4,5-trimethylheptan-2-amine
CID 79446390
4-methyl-N-propyl-4-(2,2,5,5-tetramethyloxolan-3-yl)pentan-2-amine
CID 114624231
1-N-butan-2-yl-2-N-propylpropane-1,2-diamine
CID 62568833
4,5-dimethyl-N-propylheptan-2-amine
CID 79443938
4,4,5-trimethyl-2-methylsulfanylheptane
CID 167264547
6-tert-butylsulfonyl-4,4-dimethyl-N-propylhexan-2-amine
CID 106732369
4,6-dimethyl-N-propyloctan-2-amine
CID 64720545
CID 59042822
CID 59042822
4,4-dimethyl-5-(2-methylphenyl)-N-propylpentan-2-amine
CID 64715133

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-N-propylheptan-2-amine?
The IUPAC name of 4,4,5-trimethyl-N-propylheptan-2-amine (CID 79446561) is 4,4,5-trimethyl-N-propylheptan-2-amine.
What is the SMILES notation for 4,4,5-trimethyl-N-propylheptan-2-amine?
The canonical SMILES for 4,4,5-trimethyl-N-propylheptan-2-amine is CCCNC(C)CC(C)(C)C(C)CC.
What is the InChIKey of 4,4,5-trimethyl-N-propylheptan-2-amine?
The InChIKey is JWTGPJSMBDZDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-14-12(4)10-13(5,6)11(3)8-2/h11-12,14H,7-10H2,1-6H3.
What are the key properties of 4,4,5-trimethyl-N-propylheptan-2-amine?
4,4,5-trimethyl-N-propylheptan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-N-propylheptan-2-amine is sourced from PubChem (CID 79446561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).