2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine

C17H35N — CID 167059319

IUPAC2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine
SMILESC=C(C)NC(C(C)CC(C)C)C(C)CC(C)(C)C
InChIInChI=1S/C17H35N/c1-12(2)10-14(5)16(18-13(3)4)15(6)11-17(7,8)9/h12,14-16,18H,3,10-11H2,1-2,4-9H3
InChIKeySNTLVDXWYMENDK-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.23
Rot. Bonds7

About 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine

2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine (PubChem CID 167059319) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine.

Molecular Properties

Compound Name2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine
PubChem CID167059319
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine
SMILESC=C(C)NC(C(C)CC(C)C)C(C)CC(C)(C)C
InChIInChI=1S/C17H35N/c1-12(2)10-14(5)16(18-13(3)4)15(6)11-17(7,8)9/h12,14-16,18H,3,10-11H2,1-2,4-9H3
InChIKeySNTLVDXWYMENDK-UHFFFAOYSA-N
XLogP5.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine?
The IUPAC name of 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine (CID 167059319) is 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine.
What is the SMILES notation for 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine?
The canonical SMILES for 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine is C=C(C)NC(C(C)CC(C)C)C(C)CC(C)(C)C.
What is the InChIKey of 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine?
The InChIKey is SNTLVDXWYMENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-12(2)10-14(5)16(18-13(3)4)15(6)11-17(7,8)9/h12,14-16,18H,3,10-11H2,1-2,4-9H3.
What are the key properties of 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine?
2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine has a molecular weight of 253.47 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,6,8-pentamethyl-N-prop-1-en-2-ylnonan-5-amine is sourced from PubChem (CID 167059319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).