N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine

C13H27NO — CID 62718147

IUPACN-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
SMILESCCC(C)(CCOC(C)C)CNC1CC1
InChIInChI=1S/C13H27NO/c1-5-13(4,8-9-15-11(2)3)10-14-12-6-7-12/h11-12,14H,5-10H2,1-4H3
InChIKeyFWXMREHUUHGMJV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds8

About N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine

N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine (PubChem CID 62718147) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
PubChem CID62718147
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine
SMILESCCC(C)(CCOC(C)C)CNC1CC1
InChIInChI=1S/C13H27NO/c1-5-13(4,8-9-15-11(2)3)10-14-12-6-7-12/h11-12,14H,5-10H2,1-4H3
InChIKeyFWXMREHUUHGMJV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(2-propan-2-yloxyethyl)pentyl]cyclopropanamine
CID 62725819
N-(2,2-diethyl-4-propan-2-yloxybutyl)cyclopropanamine
CID 62723470
N-(2-ethyl-5-methoxy-2-methylpentyl)cyclopropanamine
CID 62717827
N-[2-methyl-2-[2-(2-methylpropoxy)ethyl]pentyl]cyclopropanamine
CID 106456863
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
N-(2-ethyl-2-methylbutyl)piperidin-4-amine
CID 134219851
N'-cyclopropyl-2-ethyl-2-methyl-N,N-bis(2-methylpropyl)propane-1,3-diamine
CID 63493471
N-(2-ethyl-5-ethylsulfonyl-2-methylpentyl)cyclopropanamine
CID 65096971
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-(4-methylpentan-2-yl)propane-1,3-diamine
CID 55056542
N-cyclopropyl-2-ethyl-N',2-dimethyl-N'-propylpropane-1,3-diamine
CID 62263465
N-cyclopropyl-N'-(cyclopropylmethyl)-2-ethyl-2-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 62260393
N-cyclopropyl-N',2-dimethyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 62263755

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine?
The IUPAC name of N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine (CID 62718147) is N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine.
What is the SMILES notation for N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine?
The canonical SMILES for N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine is CCC(C)(CCOC(C)C)CNC1CC1.
What is the InChIKey of N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine?
The InChIKey is FWXMREHUUHGMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-13(4,8-9-15-11(2)3)10-14-12-6-7-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine?
N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methyl-4-propan-2-yloxybutyl)cyclopropanamine is sourced from PubChem (CID 62718147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).