ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine

C11H25N — CID 145022542

IUPACethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
SMILESCC.CCC1(CCCNC)CC1
InChIInChI=1S/C9H19N.C2H6/c1-3-9(6-7-9)5-4-8-10-2;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyPPIZFJRYAQHCOT-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds5

About ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine

ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine (PubChem CID 145022542) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
PubChem CID145022542
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine
SMILESCC.CCC1(CCCNC)CC1
InChIInChI=1S/C9H19N.C2H6/c1-3-9(6-7-9)5-4-8-10-2;1-2/h10H,3-8H2,1-2H3;1-2H3
InChIKeyPPIZFJRYAQHCOT-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine?
The IUPAC name of ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine (CID 145022542) is ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine.
What is the SMILES notation for ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine?
The canonical SMILES for ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine is CC.CCC1(CCCNC)CC1.
What is the InChIKey of ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine?
The InChIKey is PPIZFJRYAQHCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6/c1-3-9(6-7-9)5-4-8-10-2;1-2/h10H,3-8H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine?
ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-ethylcyclopropyl)-N-methylpropan-1-amine is sourced from PubChem (CID 145022542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).