N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine

C16H29N — CID 166809533

IUPACN,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine
SMILESC#CC(C(C)C)N(C)C(C)C(C)C(=C)C(C)C
InChIInChI=1S/C16H29N/c1-10-16(12(4)5)17(9)15(8)14(7)13(6)11(2)3/h1,11-12,14-16H,6H2,2-5,7-9H3
InChIKeyDYPAYCSBKLMRCB-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.81
Rot. Bonds6

About N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine

N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine (PubChem CID 166809533) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine
PubChem CID166809533
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine
SMILESC#CC(C(C)C)N(C)C(C)C(C)C(=C)C(C)C
InChIInChI=1S/C16H29N/c1-10-16(12(4)5)17(9)15(8)14(7)13(6)11(2)3/h1,11-12,14-16H,6H2,2-5,7-9H3
InChIKeyDYPAYCSBKLMRCB-UHFFFAOYSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine?
The IUPAC name of N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine (CID 166809533) is N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine.
What is the SMILES notation for N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine?
The canonical SMILES for N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine is C#CC(C(C)C)N(C)C(C)C(C)C(=C)C(C)C.
What is the InChIKey of N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine?
The InChIKey is DYPAYCSBKLMRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-10-16(12(4)5)17(9)15(8)14(7)13(6)11(2)3/h1,11-12,14-16H,6H2,2-5,7-9H3.
What are the key properties of N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine?
N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-4-methylidene-N-(4-methylpent-1-yn-3-yl)hexan-2-amine is sourced from PubChem (CID 166809533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).