2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine

C18H37N — CID 170233272

IUPAC2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine
SMILESC=C(NC(C)(CC(C)(C)C)C(C)(C)C)C(C)CCC
InChIInChI=1S/C18H37N/c1-11-12-14(2)15(3)19-18(10,17(7,8)9)13-16(4,5)6/h14,19H,3,11-13H2,1-2,4-10H3
InChIKeyWPZNKODQNRNFGS-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.77
Rot. Bonds6

About 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine

2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine (PubChem CID 170233272) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine.

Molecular Properties

Compound Name2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine
PubChem CID170233272
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine
SMILESC=C(NC(C)(CC(C)(C)C)C(C)(C)C)C(C)CCC
InChIInChI=1S/C18H37N/c1-11-12-14(2)15(3)19-18(10,17(7,8)9)13-16(4,5)6/h14,19H,3,11-13H2,1-2,4-10H3
InChIKeyWPZNKODQNRNFGS-UHFFFAOYSA-N
XLogP5.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine?
The IUPAC name of 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine (CID 170233272) is 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine.
What is the SMILES notation for 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine?
The canonical SMILES for 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine is C=C(NC(C)(CC(C)(C)C)C(C)(C)C)C(C)CCC.
What is the InChIKey of 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine?
The InChIKey is WPZNKODQNRNFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-11-12-14(2)15(3)19-18(10,17(7,8)9)13-16(4,5)6/h14,19H,3,11-13H2,1-2,4-10H3.
What are the key properties of 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine?
2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine has a molecular weight of 267.50 g/mol, XLogP of 5.77, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,5,5-pentamethyl-N-(3-methylhex-1-en-2-yl)hexan-3-amine is sourced from PubChem (CID 170233272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).