1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

C12H23NO — CID 115894079

IUPAC1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNC(CC)C1CC1
InChIInChI=1S/C12H23NO/c1-4-12(11-5-6-11)13-7-8-14-9-10(2)3/h11-13H,2,4-9H2,1,3H3
InChIKeyATYJOXVDBJHPHQ-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.36
Rot. Bonds8

About 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine

1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (PubChem CID 115894079) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
PubChem CID115894079
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
SMILESC=C(C)COCCNC(CC)C1CC1
InChIInChI=1S/C12H23NO/c1-4-12(11-5-6-11)13-7-8-14-9-10(2)3/h11-13H,2,4-9H2,1,3H3
InChIKeyATYJOXVDBJHPHQ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
CID 114274478
1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466187
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
1-cyclohexyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 62407006
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
N-(1-cyclopropylpropyl)hydroxylamine
CID 82686074
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
N-(2-ethoxyethyl)-1-(oxolan-3-yl)propan-1-amine
CID 115709966
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea
CID 146561839

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine (CID 115894079) is 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is C=C(C)COCCNC(CC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
The InChIKey is ATYJOXVDBJHPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-12(11-5-6-11)13-7-8-14-9-10(2)3/h11-13H,2,4-9H2,1,3H3.
What are the key properties of 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine?
1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine is sourced from PubChem (CID 115894079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).