N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine

C12H23NO — CID 103074881

IUPACN-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine
SMILESC=CCCCOCC(C)CNC1CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-14-10-11(2)9-13-12-6-7-12/h3,11-13H,1,4-10H2,2H3
InChIKeySFAPGRWBRJDYAB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds9

About N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine

N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine (PubChem CID 103074881) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine
PubChem CID103074881
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine
SMILESC=CCCCOCC(C)CNC1CC1
InChIInChI=1S/C12H23NO/c1-3-4-5-8-14-10-11(2)9-13-12-6-7-12/h3,11-13H,1,4-10H2,2H3
InChIKeySFAPGRWBRJDYAB-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.36
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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Related Compounds

N-(3-methoxypropyl)pent-4-en-2-amine
CID 116040098
(2S)-N-(3-methoxypropyl)pent-4-en-2-amine
CID 130367535
N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine
CID 170571135
1-methoxy-N-propylhex-5-en-3-amine
CID 61412205
N-ethyl-1-methoxyhex-5-en-3-amine
CID 61412663
3-but-3-enoxy-N-propan-2-ylpropan-1-amine
CID 62442852
N-(3-but-3-enoxypropyl)cyclopropanamine
CID 62442853
N-(3-but-3-enoxypropyl)-2-methylpropan-1-amine
CID 62442855
3-pent-4-enoxy-N-propan-2-ylpropan-1-amine
CID 64313588
N-but-3-enyl-3-methoxy-2-methylpropan-1-amine
CID 64314208
N-(3-methoxy-2-methylpropyl)pent-4-en-1-amine
CID 64314209
N-(4-methoxybutan-2-yl)pent-4-en-1-amine
CID 64603427

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine?
The IUPAC name of N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine (CID 103074881) is N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine.
What is the SMILES notation for N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine?
The canonical SMILES for N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine is C=CCCCOCC(C)CNC1CC1.
What is the InChIKey of N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine?
The InChIKey is SFAPGRWBRJDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-5-8-14-10-11(2)9-13-12-6-7-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine?
N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-pent-4-enoxypropyl)cyclopropanamine is sourced from PubChem (CID 103074881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).