2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine

C13H27NO — CID 134975982

IUPAC2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine
SMILESCCCCC1(CC)CC1(NC(C)C)OC
InChIInChI=1S/C13H27NO/c1-6-8-9-12(7-2)10-13(12,15-5)14-11(3)4/h11,14H,6-10H2,1-5H3
InChIKeySECWXSXHNOYVLF-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.32
Rot. Bonds7

About 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine

2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine (PubChem CID 134975982) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine.

Molecular Properties

Compound Name2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine
PubChem CID134975982
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine
SMILESCCCCC1(CC)CC1(NC(C)C)OC
InChIInChI=1S/C13H27NO/c1-6-8-9-12(7-2)10-13(12,15-5)14-11(3)4/h11,14H,6-10H2,1-5H3
InChIKeySECWXSXHNOYVLF-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2-diethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine
CID 85630940
N-tert-butyl-2-butyl-1-methoxy-2-methylcyclopropan-1-amine
CID 134907390
N-tert-butyl-2-butyl-2-ethyl-1-methoxycyclopropan-1-amine
CID 134907545
2-ethyl-1-methoxy-N-propan-2-yl-2-propylcyclopropan-1-amine
CID 134907799
2-ethyl-1-methoxy-2-methyl-N-propan-2-ylcyclopropan-1-amine
CID 134907889
2-butyl-1-methoxy-2-methyl-N-propan-2-ylcyclopropan-1-amine
CID 134907890
1-methoxy-2-methyl-N-propan-2-yl-2-propylcyclopropan-1-amine
CID 134975687
N-ethyl-6-methoxyspiro[2.3]hexan-4-amine
CID 167273954
N-[2-(2-butoxyethyl)-2-methylpentyl]cyclopropanamine
CID 55106601
N-[2-ethyl-2-(oxan-4-ylmethyl)butyl]cyclopropanamine
CID 55106750
N-[2-ethyl-2-(2-propan-2-yloxyethyl)hexyl]cyclopropanamine
CID 55107088
N-(5-methoxy-2-propylpentyl)cyclopropanamine
CID 62528126

Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine?
The IUPAC name of 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine (CID 134975982) is 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine.
What is the SMILES notation for 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine?
The canonical SMILES for 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine is CCCCC1(CC)CC1(NC(C)C)OC.
What is the InChIKey of 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine?
The InChIKey is SECWXSXHNOYVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-8-9-12(7-2)10-13(12,15-5)14-11(3)4/h11,14H,6-10H2,1-5H3.
What are the key properties of 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine?
2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-1-methoxy-N-propan-2-ylcyclopropan-1-amine is sourced from PubChem (CID 134975982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).