N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine

C12H23N — CID 175639504

IUPACN-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine
SMILESC=CCC1CCCC1N(C)C(C)C
InChIInChI=1S/C12H23N/c1-5-7-11-8-6-9-12(11)13(4)10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeySFZQSMLRKCFNTP-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.07
Rot. Bonds4

About N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine

N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine (PubChem CID 175639504) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine
PubChem CID175639504
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine
SMILESC=CCC1CCCC1N(C)C(C)C
InChIInChI=1S/C12H23N/c1-5-7-11-8-6-9-12(11)13(4)10(2)3/h5,10-12H,1,6-9H2,2-4H3
InChIKeySFZQSMLRKCFNTP-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.07
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-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine?
The IUPAC name of N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine (CID 175639504) is N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine.
What is the SMILES notation for N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine?
The canonical SMILES for N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine is C=CCC1CCCC1N(C)C(C)C.
What is the InChIKey of N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine?
The InChIKey is SFZQSMLRKCFNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-7-11-8-6-9-12(11)13(4)10(2)3/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine?
N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-propan-2-yl-2-prop-2-enylcyclopentan-1-amine is sourced from PubChem (CID 175639504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).