N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine

C16H25N — CID 43693312

IUPACN-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(NC(c1ccccc1)C(C)(C)C)C1CC1
InChIInChI=1S/C16H25N/c1-12(13-10-11-13)17-15(16(2,3)4)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3
InChIKeyHMQAHHTWTSQUQB-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.16
Rot. Bonds4

About N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine

N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine (PubChem CID 43693312) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
PubChem CID43693312
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC NameN-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine
SMILESCC(NC(c1ccccc1)C(C)(C)C)C1CC1
InChIInChI=1S/C16H25N/c1-12(13-10-11-13)17-15(16(2,3)4)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3
InChIKeyHMQAHHTWTSQUQB-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-phenyl-N-propan-2-ylpropan-1-amine
CID 15739872
N-(1-cyclopropylethyl)-3,3-dimethyl-1-phenylbutan-1-amine
CID 43740482
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
2-(1-cyclopropylethylamino)-2-phenylacetamide
CID 75511506
2-methyl-N-[1-(1-methylpiperidin-4-yl)ethyl]-1-phenylpropan-1-amine
CID 43685360
N-[1-(4-chlorophenyl)ethyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 43693281
2,2-dimethyl-1-phenyl-N-(1-piperidin-2-ylpropan-2-yl)propan-1-amine
CID 79536453
N-[(1R)-2,2-dimethyl-1-phenylpropyl]aniline
CID 66545590
N-(2,2-dimethyl-1-phenylpropyl)aniline
CID 11402191
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine (CID 43693312) is N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine is CC(NC(c1ccccc1)C(C)(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine?
The InChIKey is HMQAHHTWTSQUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-12(13-10-11-13)17-15(16(2,3)4)14-8-6-5-7-9-14/h5-9,12-13,15,17H,10-11H2,1-4H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine?
N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2-dimethyl-1-phenylpropan-1-amine is sourced from PubChem (CID 43693312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).