N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine

C18H30N2 — CID 66336792

IUPACN-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
SMILESCC(C)(C)NCc1cccc(CCCCNC2CC2)c1
InChIInChI=1S/C18H30N2/c1-18(2,3)20-14-16-9-6-8-15(13-16)7-4-5-12-19-17-10-11-17/h6,8-9,13,17,19-20H,4-5,7,10-12,14H2,1-3H3
InChIKeyVNCXAIPYEVGRJC-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.65
Rot. Bonds8

About N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine

N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine (PubChem CID 66336792) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
PubChem CID66336792
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine
SMILESCC(C)(C)NCc1cccc(CCCCNC2CC2)c1
InChIInChI=1S/C18H30N2/c1-18(2,3)20-14-16-9-6-8-15(13-16)7-4-5-12-19-17-10-11-17/h6,8-9,13,17,19-20H,4-5,7,10-12,14H2,1-3H3
InChIKeyVNCXAIPYEVGRJC-UHFFFAOYSA-N
XLogP3.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
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-(3-methylphenyl)propyl]cyclobutanamine
CID 22492849
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
N-[6-(3,4-dimethylphenyl)hexyl]cyclopropanamine
CID 65308417
N-[5-(4-tert-butylphenyl)pentyl]cyclopropanamine
CID 65301069
N'-tert-butyl-N-cyclopropyloctane-1,8-diamine
CID 66338082
N-[4-[4-(2-methylbutan-2-yl)phenyl]butyl]cyclopropanamine
CID 66258837
N-[5-(3,4-diethoxyphenyl)pentyl]cyclopropanamine
CID 65300915
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
N-[(3-cyclohexyloxyphenyl)methyl]-2-methylpropan-2-amine
CID 55148555
N-(3-phenylpropyl)cyclododecanamine
CID 83958228
N-[4-(4-iodophenyl)butyl]cyclopropanamine
CID 65489763

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine?
The IUPAC name of N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine (CID 66336792) is N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine.
What is the SMILES notation for N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine?
The canonical SMILES for N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine is CC(C)(C)NCc1cccc(CCCCNC2CC2)c1.
What is the InChIKey of N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine?
The InChIKey is VNCXAIPYEVGRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2,3)20-14-16-9-6-8-15(13-16)7-4-5-12-19-17-10-11-17/h6,8-9,13,17,19-20H,4-5,7,10-12,14H2,1-3H3.
What are the key properties of N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine?
N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine has a molecular weight of 274.45 g/mol, XLogP of 3.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[(tert-butylamino)methyl]phenyl]butyl]cyclopropanamine is sourced from PubChem (CID 66336792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).