N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine

C17H27N — CID 43740482

IUPACN-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(NC(CC(C)(C)C)c1ccccc1)C1CC1
InChIInChI=1S/C17H27N/c1-13(14-10-11-14)18-16(12-17(2,3)4)15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3
InChIKeyMCCVOPXETPQGFB-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.55
Rot. Bonds5

About N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine

N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine (PubChem CID 43740482) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
PubChem CID43740482
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
SMILESCC(NC(CC(C)(C)C)c1ccccc1)C1CC1
InChIInChI=1S/C17H27N/c1-13(14-10-11-14)18-16(12-17(2,3)4)15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3
InChIKeyMCCVOPXETPQGFB-UHFFFAOYSA-N
XLogP4.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693312
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
N-(3,3-dimethyl-1-phenylbutyl)-6-methylheptan-2-amine
CID 63421587
(2S)-2-[1-(1-methylpiperidin-4-yl)ethylamino]-2-phenylethanol
CID 103784139
3-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43711931
3,3-dimethyl-1-phenyl-N-[1-(1H-pyrazol-5-yl)ethyl]butan-1-amine
CID 60971551
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301
N-(3,3-dimethyl-1-phenylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 43740445
methyl (2S)-2-[(3,3-dimethyl-1-phenylbutyl)amino]propanoate
CID 43786798
N-(3,3-dimethyl-1-phenylbutyl)piperidin-4-amine
CID 54906460

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine (CID 43740482) is N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine is CC(NC(CC(C)(C)C)c1ccccc1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
The InChIKey is MCCVOPXETPQGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-13(14-10-11-14)18-16(12-17(2,3)4)15-8-6-5-7-9-15/h5-9,13-14,16,18H,10-12H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine?
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine is sourced from PubChem (CID 43740482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).