N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine

C19H29N — CID 107876225

IUPACN-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCC(C1CC1)C1CC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-14(2)18(15-6-4-3-5-7-15)12-20-13-19(16-8-9-16)17-10-11-17/h3-7,14,16-20H,8-13H2,1-2H3
InChIKeyIKOIHLMOYIYUDJ-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.45
Rot. Bonds8

About N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine

N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine (PubChem CID 107876225) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
PubChem CID107876225
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine
SMILESCC(C)C(CNCC(C1CC1)C1CC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-14(2)18(15-6-4-3-5-7-15)12-20-13-19(16-8-9-16)17-10-11-17/h3-7,14,16-20H,8-13H2,1-2H3
InChIKeyIKOIHLMOYIYUDJ-UHFFFAOYSA-N
XLogP4.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129
N-(3-methyl-2-phenylbutyl)cyclopent-3-en-1-amine
CID 114011794
1-[(3-methyl-2-phenylbutyl)amino]butan-2-ol
CID 104952529
N-(3-cyclopentylpropyl)-3-methyl-2-phenylbutan-1-amine
CID 106008203
3-methyl-2-phenyl-N-(thiolan-2-ylmethyl)butan-1-amine
CID 114011786
N-(2-ethoxypropyl)-3-methyl-2-phenylbutan-1-amine
CID 114011795
3-methyl-N-(oxolan-3-ylmethyl)-2-phenylbutan-1-amine
CID 103896914
3-methyl-2-phenyl-N-prop-2-enylbutan-1-amine
CID 107875745
3,5-dimethyl-N-(3-methyl-2-phenylbutyl)cyclohexan-1-amine
CID 107876205
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
3-methyl-N-[2-(oxolan-3-yl)ethyl]-2-phenylbutan-1-amine
CID 102671497

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine?
The IUPAC name of N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine (CID 107876225) is N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine is CC(C)C(CNCC(C1CC1)C1CC1)c1ccccc1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine?
The InChIKey is IKOIHLMOYIYUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-14(2)18(15-6-4-3-5-7-15)12-20-13-19(16-8-9-16)17-10-11-17/h3-7,14,16-20H,8-13H2,1-2H3.
What are the key properties of N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine?
N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-3-methyl-2-phenylbutan-1-amine is sourced from PubChem (CID 107876225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).