N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine

C18H37N — CID 166770577

IUPACN,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine
SMILESC=C(CCCCCC(C)(C)CN(C)C(C)C)C(C)C
InChIInChI=1S/C18H37N/c1-15(2)17(5)12-10-9-11-13-18(6,7)14-19(8)16(3)4/h15-16H,5,9-14H2,1-4,6-8H3
InChIKeyRFGXBIFXMYFRQO-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.52
Rot. Bonds10

About N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine

N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine (PubChem CID 166770577) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine.

Molecular Properties

Compound NameN,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine
PubChem CID166770577
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine
SMILESC=C(CCCCCC(C)(C)CN(C)C(C)C)C(C)C
InChIInChI=1S/C18H37N/c1-15(2)17(5)12-10-9-11-13-18(6,7)14-19(8)16(3)4/h15-16H,5,9-14H2,1-4,6-8H3
InChIKeyRFGXBIFXMYFRQO-UHFFFAOYSA-N
XLogP5.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine?
The IUPAC name of N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine (CID 166770577) is N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine.
What is the SMILES notation for N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine?
The canonical SMILES for N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine is C=C(CCCCCC(C)(C)CN(C)C(C)C)C(C)C.
What is the InChIKey of N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine?
The InChIKey is RFGXBIFXMYFRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-15(2)17(5)12-10-9-11-13-18(6,7)14-19(8)16(3)4/h15-16H,5,9-14H2,1-4,6-8H3.
What are the key properties of N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine?
N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2,9-tetramethyl-8-methylidene-N-propan-2-yldecan-1-amine is sourced from PubChem (CID 166770577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).