4-ethyl-2,3-dimethyl-N-propylhexan-1-amine

C13H29N — CID 81015927

IUPAC4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(C)C(C)C(CC)CC
InChIInChI=1S/C13H29N/c1-6-9-14-10-11(4)12(5)13(7-2)8-3/h11-14H,6-10H2,1-5H3
InChIKeyFLFZUUOJBDCAGX-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds8

About 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine

4-ethyl-2,3-dimethyl-N-propylhexan-1-amine (PubChem CID 81015927) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
PubChem CID81015927
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name4-ethyl-2,3-dimethyl-N-propylhexan-1-amine
SMILESCCCNCC(C)C(C)C(CC)CC
InChIInChI=1S/C13H29N/c1-6-9-14-10-11(4)12(5)13(7-2)8-3/h11-14H,6-10H2,1-5H3
InChIKeyFLFZUUOJBDCAGX-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

4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
CID 134267179
2-methyl-N-propylpropan-1-amine
CID 520943
trimethyl(propylaminomethyl)phosphanium
CID 167202945
2,3-dimethyl-N-propylheptan-1-amine
CID 81015380
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
(2S)-2-iodo-N-propylpropan-1-amine
CID 139491704
(2S)-2-butan-2-yl-N-propylheptan-1-amine
CID 164875858
4-methoxy-2,3-dimethyl-N-propylbutan-1-amine
CID 81016349
2-methyl-3-N,3-N-bis(2-methylpropyl)-1-N-propylbutane-1,3-diamine
CID 79409681
2-tert-butyl-3-methyl-N-propylpentan-1-amine
CID 83138330
2,3,5-trimethyl-N-propylhex-5-en-1-amine
CID 81016031

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
The IUPAC name of 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine (CID 81015927) is 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
The canonical SMILES for 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine is CCCNCC(C)C(C)C(CC)CC.
What is the InChIKey of 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
The InChIKey is FLFZUUOJBDCAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-6-9-14-10-11(4)12(5)13(7-2)8-3/h11-14H,6-10H2,1-5H3.
What are the key properties of 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine?
4-ethyl-2,3-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 4-ethyl-2,3-dimethyl-N-propylhexan-1-amine is sourced from PubChem (CID 81015927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).