N-heptyl-N-prop-1-enylcyclopropanamine

C13H25N — CID 123655582

IUPACN-heptyl-N-prop-1-enylcyclopropanamine
SMILESCC=CN(CCCCCCC)C1CC1
InChIInChI=1S/C13H25N/c1-3-5-6-7-8-12-14(11-4-2)13-9-10-13/h4,11,13H,3,5-10,12H2,1-2H3
InChIKeyNOBWKRUPGZUNKG-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.95
Rot. Bonds8

About N-heptyl-N-prop-1-enylcyclopropanamine

N-heptyl-N-prop-1-enylcyclopropanamine (PubChem CID 123655582) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-heptyl-N-prop-1-enylcyclopropanamine.

Molecular Properties

Compound NameN-heptyl-N-prop-1-enylcyclopropanamine
PubChem CID123655582
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-heptyl-N-prop-1-enylcyclopropanamine
SMILESCC=CN(CCCCCCC)C1CC1
InChIInChI=1S/C13H25N/c1-3-5-6-7-8-12-14(11-4-2)13-9-10-13/h4,11,13H,3,5-10,12H2,1-2H3
InChIKeyNOBWKRUPGZUNKG-UHFFFAOYSA-N
XLogP3.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-cyclopropylformamide
CID 19080210
N-cyclopropyl-N-pentylcyclopropanamine
CID 91246836
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
1,1-dicyclohexyl-2,2-dihexylhydrazine
CID 57459761
N-cyclohexyl-N-hexadecylcyclohexanamine
CID 20533826
N-cyclohexyl-N-octadecylcyclohexanamine
CID 154102011
N-(2-chloroethyl)-N-pentylcyclopropanamine
CID 63388032
N-methyl-N-pentylcyclobutanamine
CID 142562644
N'-cyclohexyl-N'-hexylethane-1,2-diamine
CID 63760462
N-butyl-N-cyclopropylbut-2-enamide
CID 112726716
bicyclo[2.2.1]heptane;heptane
CID 161465006

Frequently Asked Questions

What is the IUPAC name of N-heptyl-N-prop-1-enylcyclopropanamine?
The IUPAC name of N-heptyl-N-prop-1-enylcyclopropanamine (CID 123655582) is N-heptyl-N-prop-1-enylcyclopropanamine.
What is the SMILES notation for N-heptyl-N-prop-1-enylcyclopropanamine?
The canonical SMILES for N-heptyl-N-prop-1-enylcyclopropanamine is CC=CN(CCCCCCC)C1CC1.
What is the InChIKey of N-heptyl-N-prop-1-enylcyclopropanamine?
The InChIKey is NOBWKRUPGZUNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-3-5-6-7-8-12-14(11-4-2)13-9-10-13/h4,11,13H,3,5-10,12H2,1-2H3.
What are the key properties of N-heptyl-N-prop-1-enylcyclopropanamine?
N-heptyl-N-prop-1-enylcyclopropanamine has a molecular weight of 195.35 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-N-prop-1-enylcyclopropanamine is sourced from PubChem (CID 123655582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).