2-ethyl-4,5-dimethyl-N-propylhexan-1-amine

C13H29N — CID 134267179

IUPAC2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(CC)CC(C)C(C)C
InChIInChI=1S/C13H29N/c1-6-8-14-10-13(7-2)9-12(5)11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyRKWSHOTYWJSURR-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds8

About 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine

2-ethyl-4,5-dimethyl-N-propylhexan-1-amine (PubChem CID 134267179) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
PubChem CID134267179
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(CC)CC(C)C(C)C
InChIInChI=1S/C13H29N/c1-6-8-14-10-13(7-2)9-12(5)11(3)4/h11-14H,6-10H2,1-5H3
InChIKeyRKWSHOTYWJSURR-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
4-ethyl-N,2-dipropylhexan-1-amine
CID 82930255
4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
CID 81015927
N,2-dipropylpentan-1-amine
CID 62530512
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
2-(ethoxymethyl)-N-propylbutan-1-amine
CID 103984257
2-methyl-N-propylpropan-1-amine
CID 520943
trimethyl(propylaminomethyl)phosphanium
CID 167202945
2-ethyl-4,5-dimethylhexan-1-amine
CID 147299389
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
CID 82930447

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine?
The IUPAC name of 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine (CID 134267179) is 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine?
The canonical SMILES for 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine is CCCNCC(CC)CC(C)C(C)C.
What is the InChIKey of 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine?
The InChIKey is RKWSHOTYWJSURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-8-14-10-13(7-2)9-12(5)11(3)4/h11-14H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine?
2-ethyl-4,5-dimethyl-N-propylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4,5-dimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 134267179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).