N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine

C18H29NO — CID 62451843

IUPACN-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
SMILESCC(C)(C)c1ccccc1OCCCCCNC1CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-9-5-6-10-17(16)20-14-8-4-7-13-19-15-11-12-15/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3
InChIKeyOMEIXTXAAIOVEV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds8

About N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine

N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine (PubChem CID 62451843) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
PubChem CID62451843
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine
SMILESCC(C)(C)c1ccccc1OCCCCCNC1CC1
InChIInChI=1S/C18H29NO/c1-18(2,3)16-9-5-6-10-17(16)20-14-8-4-7-13-19-15-11-12-15/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3
InChIKeyOMEIXTXAAIOVEV-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.29
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-[3-(2-tert-butylphenoxy)propyl]cyclohexanamine
CID 63506870
N-[3-(2-tert-butyl-4-methylphenoxy)propyl]cyclopropanamine
CID 29016012
1-tert-butyl-2-heptoxybenzene
CID 64763672
N-[4-(2-methylphenoxy)butyl]cyclopentanamine
CID 82097612
1-(9-bromononoxy)-2-tert-butylbenzene
CID 105343207
N-[4-(4-tert-butylphenoxy)butyl]cyclopropanamine
CID 62454395
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[4-(3-chloro-2-fluorophenoxy)butyl]cyclopropanamine
CID 116690398
N-[4-(2,3-dichlorophenoxy)butyl]cyclopropanamine
CID 62451053
N-[2-(2-tert-butylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 62571642
2-(2-tert-butylphenoxy)-N-ethylethanamine
CID 29015338
N-[4-(2,5-dimethylphenoxy)butyl]cyclopropanamine
CID 62454096

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine?
The IUPAC name of N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine (CID 62451843) is N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine.
What is the SMILES notation for N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine?
The canonical SMILES for N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine is CC(C)(C)c1ccccc1OCCCCCNC1CC1.
What is the InChIKey of N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine?
The InChIKey is OMEIXTXAAIOVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-18(2,3)16-9-5-6-10-17(16)20-14-8-4-7-13-19-15-11-12-15/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3.
What are the key properties of N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine?
N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-tert-butylphenoxy)pentyl]cyclopropanamine is sourced from PubChem (CID 62451843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).