1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine

C15H29NO — CID 114274478

IUPAC1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
SMILESC=C(C)COCCNC(CCC(C)C)C1CC1
InChIInChI=1S/C15H29NO/c1-12(2)5-8-15(14-6-7-14)16-9-10-17-11-13(3)4/h12,14-16H,3,5-11H2,1-2,4H3
InChIKeyDDRAHFNBVNAYJI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.38
Rot. Bonds10

About 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine

1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine (PubChem CID 114274478) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
PubChem CID114274478
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine
SMILESC=C(C)COCCNC(CCC(C)C)C1CC1
InChIInChI=1S/C15H29NO/c1-12(2)5-8-15(14-6-7-14)16-9-10-17-11-13(3)4/h12,14-16H,3,5-11H2,1-2,4H3
InChIKeyDDRAHFNBVNAYJI-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.38
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-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 115894079
1-(4-tert-butylcyclohexyl)-N-[2-(2-methylprop-2-enoxy)ethyl]ethane-1,2-diamine
CID 114466187
N-cyclopentyl-2-[2-(2-methylprop-2-enoxy)ethylamino]propanamide
CID 114467548
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
4-(2-methylprop-2-enoxy)-N-propan-2-ylbutan-1-amine
CID 166111983
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
CID 115973599
1-[2-(2-methylprop-2-enoxy)ethyl]-3-[(4-propan-2-ylcyclohexyl)methyl]urea
CID 146561839
N-[2-(2-methylprop-2-enoxy)ethyl]but-3-yn-2-amine
CID 114467532
4-methyl-N-propyl-1-(4-propylcyclohexyl)pentan-1-amine
CID 65424745
N-[2-(2-methylprop-2-enoxy)ethyl]undecan-6-amine
CID 114465862
2-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,2-diamine
CID 114466208
1-tert-butylsulfanyl-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 115894013

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine?
The IUPAC name of 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine (CID 114274478) is 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine?
The canonical SMILES for 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine is C=C(C)COCCNC(CCC(C)C)C1CC1.
What is the InChIKey of 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine?
The InChIKey is DDRAHFNBVNAYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)5-8-15(14-6-7-14)16-9-10-17-11-13(3)4/h12,14-16H,3,5-11H2,1-2,4H3.
What are the key properties of 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine?
1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 114274478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).