N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine

C12H23NO — CID 79607035

IUPACN-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine
SMILESCCCOCC(C)=CCCNC1CC1
InChIInChI=1S/C12H23NO/c1-3-9-14-10-11(2)5-4-8-13-12-6-7-12/h5,12-13H,3-4,6-10H2,1-2H3
InChIKeyMTCJAZGNMKOZHQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds8

About N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine

N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine (PubChem CID 79607035) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine.

Molecular Properties

Compound NameN-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine
PubChem CID79607035
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine
SMILESCCCOCC(C)=CCCNC1CC1
InChIInChI=1S/C12H23NO/c1-3-9-14-10-11(2)5-4-8-13-12-6-7-12/h5,12-13H,3-4,6-10H2,1-2H3
InChIKeyMTCJAZGNMKOZHQ-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine?
The IUPAC name of N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine (CID 79607035) is N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine.
What is the SMILES notation for N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine?
The canonical SMILES for N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine is CCCOCC(C)=CCCNC1CC1.
What is the InChIKey of N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine?
The InChIKey is MTCJAZGNMKOZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-9-14-10-11(2)5-4-8-13-12-6-7-12/h5,12-13H,3-4,6-10H2,1-2H3.
What are the key properties of N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine?
N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-propoxypent-3-enyl)cyclopropanamine is sourced from PubChem (CID 79607035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).