1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine

C19H39NO — CID 116723712

IUPAC1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
SMILESCCCCCCCCCCC(NCC)C(OCC)C1CC1
InChIInChI=1S/C19H39NO/c1-4-7-8-9-10-11-12-13-14-18(20-5-2)19(21-6-3)17-15-16-17/h17-20H,4-16H2,1-3H3
InChIKeyDZQFUWWFUINMRY-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.31
Rot. Bonds15

About 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine

1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine (PubChem CID 116723712) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
PubChem CID116723712
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
SMILESCCCCCCCCCCC(NCC)C(OCC)C1CC1
InChIInChI=1S/C19H39NO/c1-4-7-8-9-10-11-12-13-14-18(20-5-2)19(21-6-3)17-15-16-17/h17-20H,4-16H2,1-3H3
InChIKeyDZQFUWWFUINMRY-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclopropyl-1-ethoxy-N-ethylhex-5-en-2-amine
CID 116723744
1-cyclopropyl-1-ethoxytetradecan-2-ol
CID 116712966
(1-cyclohexyl-1-ethoxynonan-2-yl)hydrazine
CID 105278827
1-cyclopropyl-1-ethoxynonan-2-amine
CID 116723047
2-ethoxy-N-ethylundecan-3-amine
CID 64535007
1-cyclohexyl-1-ethoxy-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 116772369
3-ethoxy-N-ethylundecan-4-amine
CID 116716862
1-cyclopropyl-3-(3,5-dimethylphenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723632
3-(4-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723713
1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116722520
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine (CID 116723712) is 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine is CCCCCCCCCCC(NCC)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine?
The InChIKey is DZQFUWWFUINMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-4-7-8-9-10-11-12-13-14-18(20-5-2)19(21-6-3)17-15-16-17/h17-20H,4-16H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine?
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine has a molecular weight of 297.53 g/mol, XLogP of 5.31, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine is sourced from PubChem (CID 116723712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).