N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine

C14H29NO — CID 62514503

IUPACN-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
SMILESCCC(CCOCCC(C)C)CNC1CC1
InChIInChI=1S/C14H29NO/c1-4-13(11-15-14-5-6-14)8-10-16-9-7-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyKNFQRIWKMVNMGR-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds10

About N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine

N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine (PubChem CID 62514503) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
PubChem CID62514503
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
SMILESCCC(CCOCCC(C)C)CNC1CC1
InChIInChI=1S/C14H29NO/c1-4-13(11-15-14-5-6-14)8-10-16-9-7-12(2)3/h12-15H,4-11H2,1-3H3
InChIKeyKNFQRIWKMVNMGR-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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

N-[2-(2-butoxyethyl)-4-methylpentyl]cyclopropanamine
CID 55082814
N-[2-(3-methylbutoxy)butyl]cyclopropanamine
CID 62445151
N-[2-(2-ethoxyethyl)pentyl]cyclopropanamine
CID 62528732
N-(2-ethyl-6-methoxyhexyl)cyclopropanamine
CID 104649189
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-ethyldodecyl)cyclopropanamine
CID 63521510
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
N-(2-ethylhexyl)-4-propan-2-ylcyclohexan-1-amine
CID 55200354
N-[2-(2-methoxyethyl)pentyl]cyclopropanamine
CID 62528132
N-[2-[3-(2-methoxyethoxy)propyl]-4-methylpentyl]cyclopropanamine
CID 103412314
N-[2-methyl-2-[2-(3-methylbutoxy)ethyl]pentyl]cyclopropanamine
CID 55106599
4-butoxy-2-ethyl-N-(2-methylpropyl)butan-1-amine
CID 62514326

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine?
The IUPAC name of N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine (CID 62514503) is N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine?
The canonical SMILES for N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine is CCC(CCOCCC(C)C)CNC1CC1.
What is the InChIKey of N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine?
The InChIKey is KNFQRIWKMVNMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-13(11-15-14-5-6-14)8-10-16-9-7-12(2)3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine?
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine is sourced from PubChem (CID 62514503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).