N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine

C17H27N — CID 137470673

IUPACN-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine
SMILESC=C1C(=C)C(N(C)C(=C)C(C)C)=C1CCC(C)C
InChIInChI=1S/C17H27N/c1-11(2)9-10-16-13(5)14(6)17(16)18(8)15(7)12(3)4/h11-12H,5-7,9-10H2,1-4,8H3
InChIKeyPWMVAAKIRMWSKJ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.90
Rot. Bonds6

About N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine

N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine (PubChem CID 137470673) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine
PubChem CID137470673
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine
SMILESC=C1C(=C)C(N(C)C(=C)C(C)C)=C1CCC(C)C
InChIInChI=1S/C17H27N/c1-11(2)9-10-16-13(5)14(6)17(16)18(8)15(7)12(3)4/h11-12H,5-7,9-10H2,1-4,8H3
InChIKeyPWMVAAKIRMWSKJ-UHFFFAOYSA-N
XLogP4.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine?
The IUPAC name of N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine (CID 137470673) is N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine.
What is the SMILES notation for N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine?
The canonical SMILES for N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine is C=C1C(=C)C(N(C)C(=C)C(C)C)=C1CCC(C)C.
What is the InChIKey of N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine?
The InChIKey is PWMVAAKIRMWSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-11(2)9-10-16-13(5)14(6)17(16)18(8)15(7)12(3)4/h11-12H,5-7,9-10H2,1-4,8H3.
What are the key properties of N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine?
N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbut-1-en-2-yl)-2-(3-methylbutyl)-3,4-dimethylidenecyclobuten-1-amine is sourced from PubChem (CID 137470673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).