N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine

C13H27N — CID 139294846

IUPACN,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine
SMILESC=C(C(C)C)C(C)C(C)N(C)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)11(5)12(6)13(7)14(8)10(3)4/h9-10,12-13H,5H2,1-4,6-8H3
InChIKeyVUSVTAVXBSGAKE-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.56
Rot. Bonds5

About N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine

N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine (PubChem CID 139294846) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine
PubChem CID139294846
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine
SMILESC=C(C(C)C)C(C)C(C)N(C)C(C)C
InChIInChI=1S/C13H27N/c1-9(2)11(5)12(6)13(7)14(8)10(3)4/h9-10,12-13H,5H2,1-4,6-8H3
InChIKeyVUSVTAVXBSGAKE-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine?
The IUPAC name of N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine (CID 139294846) is N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine.
What is the SMILES notation for N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine?
The canonical SMILES for N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine is C=C(C(C)C)C(C)C(C)N(C)C(C)C.
What is the InChIKey of N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine?
The InChIKey is VUSVTAVXBSGAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-9(2)11(5)12(6)13(7)14(8)10(3)4/h9-10,12-13H,5H2,1-4,6-8H3.
What are the key properties of N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine?
N,3,5-trimethyl-4-methylidene-N-propan-2-ylhexan-2-amine has a molecular weight of 197.37 g/mol, XLogP of 3.56, 5 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-propan-2-ylhexan-2-amine is sourced from PubChem (CID 139294846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).