N-methyl-2-prop-2-ynylcycloheptan-1-amine

C11H19N — CID 62604959

IUPACN-methyl-2-prop-2-ynylcycloheptan-1-amine
SMILESC#CCC1CCCCCC1NC
InChIInChI=1S/C11H19N/c1-3-7-10-8-5-4-6-9-11(10)12-2/h1,10-12H,4-9H2,2H3
InChIKeyYMKOYRBEXSMFSM-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-2-prop-2-ynylcycloheptan-1-amine

N-methyl-2-prop-2-ynylcycloheptan-1-amine (PubChem CID 62604959) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-2-prop-2-ynylcycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-prop-2-ynylcycloheptan-1-amine
PubChem CID62604959
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-2-prop-2-ynylcycloheptan-1-amine
SMILESC#CCC1CCCCCC1NC
InChIInChI=1S/C11H19N/c1-3-7-10-8-5-4-6-9-11(10)12-2/h1,10-12H,4-9H2,2H3
InChIKeyYMKOYRBEXSMFSM-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-prop-2-ynylcycloheptan-1-amine?
The IUPAC name of N-methyl-2-prop-2-ynylcycloheptan-1-amine (CID 62604959) is N-methyl-2-prop-2-ynylcycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-prop-2-ynylcycloheptan-1-amine?
The canonical SMILES for N-methyl-2-prop-2-ynylcycloheptan-1-amine is C#CCC1CCCCCC1NC.
What is the InChIKey of N-methyl-2-prop-2-ynylcycloheptan-1-amine?
The InChIKey is YMKOYRBEXSMFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-3-7-10-8-5-4-6-9-11(10)12-2/h1,10-12H,4-9H2,2H3.
What are the key properties of N-methyl-2-prop-2-ynylcycloheptan-1-amine?
N-methyl-2-prop-2-ynylcycloheptan-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-prop-2-ynylcycloheptan-1-amine is sourced from PubChem (CID 62604959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).