N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine

C17H27N — CID 66025103

IUPACN-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H27N/c1-4-11-18-13-17(9-10-17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyILVZUARUEBFGHH-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds7

About N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine

N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine (PubChem CID 66025103) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
PubChem CID66025103
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C17H27N/c1-4-11-18-13-17(9-10-17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,18H,4,9-13H2,1-3H3
InChIKeyILVZUARUEBFGHH-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(1-ethylcyclopropyl)methyl]-4-propan-2-ylbenzene
CID 153389368
N-[[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024671
[1-[(4-propan-2-ylphenyl)methyl]cyclopentyl]methanol
CID 66026116
N-[[3-[(4-bromophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62720101
N-[[1-(aminomethyl)cyclobutyl]methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 115245756
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781
N-[[3-ethyl-1-(4-propan-2-ylphenyl)cyclobutyl]methyl]propan-1-amine
CID 64999540
N-[[1-(thiophen-3-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 65194994
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
N-[[3-[(3,4-dichlorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 62719558
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclopropyl]methyl]propan-1-amine
CID 66024888
N-[(1-benzyl-4-butylcyclohexyl)methyl]propan-1-amine
CID 63522017

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine (CID 66025103) is N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine is CCCNCC1(Cc2ccc(C(C)C)cc2)CC1.
What is the InChIKey of N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine?
The InChIKey is ILVZUARUEBFGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-11-18-13-17(9-10-17)12-15-5-7-16(8-6-15)14(2)3/h5-8,14,18H,4,9-13H2,1-3H3.
What are the key properties of N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine?
N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-propan-2-ylphenyl)methyl]cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 66025103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).