N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine

C17H31N — CID 91195542

IUPACN,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine
SMILESC=C(C)C1(C)CC(NC)CC(C)(C(=C)C)C(C)C1
InChIInChI=1S/C17H31N/c1-12(2)16(6)9-14(5)17(7,13(3)4)11-15(10-16)18-8/h14-15,18H,1,3,9-11H2,2,4-8H3
InChIKeyKIFPICZTEGNXNG-UHFFFAOYSA-N
MW249.44 g/mol
LogP4.56
Rot. Bonds3

About N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine

N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine (PubChem CID 91195542) has the molecular formula C17H31N and a molecular weight of 249.44 g/mol. Its IUPAC name is N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound NameN,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine
PubChem CID91195542
Molecular FormulaC17H31N
Molecular Weight249.44 g/mol
Exact Mass249.25
IUPAC NameN,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine
SMILESC=C(C)C1(C)CC(NC)CC(C)(C(=C)C)C(C)C1
InChIInChI=1S/C17H31N/c1-12(2)16(6)9-14(5)17(7,13(3)4)11-15(10-16)18-8/h14-15,18H,1,3,9-11H2,2,4-8H3
InChIKeyKIFPICZTEGNXNG-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
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,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine?
The IUPAC name of N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine (CID 91195542) is N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine.
What is the SMILES notation for N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine?
The canonical SMILES for N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine is C=C(C)C1(C)CC(NC)CC(C)(C(=C)C)C(C)C1.
What is the InChIKey of N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine?
The InChIKey is KIFPICZTEGNXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N/c1-12(2)16(6)9-14(5)17(7,13(3)4)11-15(10-16)18-8/h14-15,18H,1,3,9-11H2,2,4-8H3.
What are the key properties of N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine?
N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine has a molecular weight of 249.44 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,4,6-tetramethyl-3,6-bis(prop-1-en-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 91195542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).