4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine

C17H37N — CID 135274420

IUPAC4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
SMILESCCC(CC(C)C)(CC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H37N/c1-10-17(11-13(2)3,12-14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3
InChIKeyLSGAMKAKBWMODL-UHFFFAOYSA-N
MW255.49 g/mol
LogP5.35
Rot. Bonds8

About 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine

4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine (PubChem CID 135274420) has the molecular formula C17H37N and a molecular weight of 255.49 g/mol. Its IUPAC name is 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine.

Molecular Properties

Compound Name4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
PubChem CID135274420
Molecular FormulaC17H37N
Molecular Weight255.49 g/mol
Exact Mass255.29
IUPAC Name4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine
SMILESCCC(CC(C)C)(CC(C)C)N(C(C)C)C(C)C
InChIInChI=1S/C17H37N/c1-10-17(11-13(2)3,12-14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3
InChIKeyLSGAMKAKBWMODL-UHFFFAOYSA-N
XLogP5.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500255.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-2-methyl-N,N-di(propan-2-yl)heptan-4-amine
CID 146611737
4-ethyl-4-methoxy-2,6-dimethylheptane
CID 141423209
hydroxy-[2-hydroxyethyl-[3-(hydroxymethyl)-5-methylhexan-3-yl]amino]methanesulfonic acid
CID 170174267
4-methyl-2-(2-methylpropyl)-2-N,2-N-dipropylpentane-1,2-diamine
CID 115576499
3-ethyl-2,5-dimethyl-3-propan-2-ylhexane
CID 57491485
N,2,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
CID 88871230
2-N,4-dimethyl-2-(2-methylpropyl)-2-N-pentan-3-ylpentane-1,2-diamine
CID 114867441
1,3-dihydroxy-3-[2-hydroxyethyl-[3-(hydroxymethyl)-5-methylhexan-3-yl]amino]propane-1-sulfonic acid
CID 170174283
3-ethyl-2,3,5-trimethylhexane
CID 53428900
2-[hydroxymethyl(methyl)amino]-2-(2-methylpropyl)propane-1,3-diol
CID 170174292
3-amino-5-methylhexan-3-ol
CID 19828897
(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
CID 175974916

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine?
The IUPAC name of 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine (CID 135274420) is 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine.
What is the SMILES notation for 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine?
The canonical SMILES for 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine is CCC(CC(C)C)(CC(C)C)N(C(C)C)C(C)C.
What is the InChIKey of 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine?
The InChIKey is LSGAMKAKBWMODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N/c1-10-17(11-13(2)3,12-14(4)5)18(15(6)7)16(8)9/h13-16H,10-12H2,1-9H3.
What are the key properties of 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine?
4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine has a molecular weight of 255.49 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,6-dimethyl-N,N-di(propan-2-yl)heptan-4-amine is sourced from PubChem (CID 135274420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).