3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine

C19H39N — CID 134231955

IUPAC3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine
SMILESC=C(NCCC)C(C)(C(C)C(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H39N/c1-12-13-20-16(5)19(11,15(4)14(2)3)18(9,10)17(6,7)8/h14-15,20H,5,12-13H2,1-4,6-11H3
InChIKeyBWUKFLPKIGKYLH-UHFFFAOYSA-N
MW281.53 g/mol
LogP5.87
Rot. Bonds7

About 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine

3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine (PubChem CID 134231955) has the molecular formula C19H39N and a molecular weight of 281.53 g/mol. Its IUPAC name is 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine.

Molecular Properties

Compound Name3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine
PubChem CID134231955
Molecular FormulaC19H39N
Molecular Weight281.53 g/mol
Exact Mass281.31
IUPAC Name3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine
SMILESC=C(NCCC)C(C)(C(C)C(C)C)C(C)(C)C(C)(C)C
InChIInChI=1S/C19H39N/c1-12-13-20-16(5)19(11,15(4)14(2)3)18(9,10)17(6,7)8/h14-15,20H,5,12-13H2,1-4,6-11H3
InChIKeyBWUKFLPKIGKYLH-UHFFFAOYSA-N
XLogP5.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.53
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine?
The IUPAC name of 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine (CID 134231955) is 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine.
What is the SMILES notation for 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine?
The canonical SMILES for 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine is C=C(NCCC)C(C)(C(C)C(C)C)C(C)(C)C(C)(C)C.
What is the InChIKey of 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine?
The InChIKey is BWUKFLPKIGKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39N/c1-12-13-20-16(5)19(11,15(4)14(2)3)18(9,10)17(6,7)8/h14-15,20H,5,12-13H2,1-4,6-11H3.
What are the key properties of 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine?
3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine has a molecular weight of 281.53 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5-pentamethyl-3-(3-methylbutan-2-yl)-N-propylhex-1-en-2-amine is sourced from PubChem (CID 134231955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).