N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine

C10H19NO — CID 170571135

IUPACN-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine
SMILESCC/C=C/OCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h3,8,10-11H,2,4-7,9H2,1H3/b8-3+
InChIKeyNCFCGLJUJLAWBH-FPYGCLRLSA-N
MW169.27 g/mol
LogP2.07
Rot. Bonds7

About N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine

N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine (PubChem CID 170571135) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine
PubChem CID170571135
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine
SMILESCC/C=C/OCCCNC1CC1
InChIInChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h3,8,10-11H,2,4-7,9H2,1H3/b8-3+
InChIKeyNCFCGLJUJLAWBH-FPYGCLRLSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[4-(methylamino)but-1-enoxy]but-3-en-1-amine
CID 57163783
N-(3-methoxypropyl)but-3-en-2-amine
CID 87585790
N-(3-methoxypropyl)pent-4-en-2-amine
CID 116040098
N-methyl-4-prop-1-enoxybutan-2-amine
CID 123840680
(2S)-N-(3-methoxypropyl)pent-4-en-2-amine
CID 130367535
N-methyl-5-[4-(methylamino)pent-1-enoxy]pent-4-en-2-amine
CID 139909461
N-ethyl-4-[4-(ethylamino)but-1-enoxy]but-3-en-1-amine
CID 141573593
N-ethyl-3-[(E)-prop-1-enoxy]propan-1-amine
CID 142805870
N-methyl-4-[3-(methylamino)but-1-enoxy]but-3-en-2-amine
CID 152666620
1-but-1-enoxy-N-ethylethanamine
CID 174790553
N-butyl-4-methoxybut-3-en-1-amine
CID 54305017
3-but-3-enoxy-N-propan-2-ylpropan-1-amine
CID 62442852

Frequently Asked Questions

What is the IUPAC name of N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine?
The IUPAC name of N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine (CID 170571135) is N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine is CC/C=C/OCCCNC1CC1.
What is the InChIKey of N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine?
The InChIKey is NCFCGLJUJLAWBH-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-8-12-9-4-7-11-10-5-6-10/h3,8,10-11H,2,4-7,9H2,1H3/b8-3+.
What are the key properties of N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine?
N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine has a molecular weight of 169.27 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(E)-but-1-enoxy]propyl]cyclopropanamine is sourced from PubChem (CID 170571135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).