1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine

C13H23NO — CID 116722520

IUPAC1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
SMILESC#CCCCC(NCC)C(OC)C1CC1
InChIInChI=1S/C13H23NO/c1-4-6-7-8-12(14-5-2)13(15-3)11-9-10-11/h1,11-14H,5-10H2,2-3H3
InChIKeyFZSFXPLYEWJXMT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine

1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine (PubChem CID 116722520) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
PubChem CID116722520
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine
SMILESC#CCCCC(NCC)C(OC)C1CC1
InChIInChI=1S/C13H23NO/c1-4-6-7-8-12(14-5-2)13(15-3)11-9-10-11/h1,11-14H,5-10H2,2-3H3
InChIKeyFZSFXPLYEWJXMT-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-N-ethyl-1-methoxyhept-6-yn-2-amine
CID 116771722
1-cyclopropyl-1-methoxy-N-propylhex-5-yn-2-amine
CID 116722820
1-cyclopropyl-1-ethoxyhept-6-yn-2-ol
CID 116712756
1-cyclopropyl-1-methoxyhex-5-yn-2-amine
CID 116721960
1-cyclopropyl-1-ethoxy-N-ethyldodecan-2-amine
CID 116723712
1-cyclohexyl-N-ethyl-5,5,5-trifluoro-1-methoxypentan-2-amine
CID 116771700
2-cyclopropyloct-7-yn-3-ylhydrazine
CID 105333373
N-ethyl-3-methoxyoct-7-yn-4-amine
CID 116715754
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1-cyclopropyl-3-ethoxy-1-methoxy-N-methylpropan-2-amine
CID 116722158
1-cyclopropyl-1-ethoxy-N-ethylhex-5-en-2-amine
CID 116723744
3-methoxynon-8-yn-4-ylhydrazine
CID 105270720

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine (CID 116722520) is 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine is C#CCCCC(NCC)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
The InChIKey is FZSFXPLYEWJXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-6-7-8-12(14-5-2)13(15-3)11-9-10-11/h1,11-14H,5-10H2,2-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine?
1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-1-methoxyhept-6-yn-2-amine is sourced from PubChem (CID 116722520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).