N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine

C17H29N — CID 116931207

IUPACN,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCNCC(Cc1cc(C(C)C)ccc1C)C(C)C
InChIInChI=1S/C17H29N/c1-12(2)15-8-7-14(5)16(9-15)10-17(11-18-6)13(3)4/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyQITVCRAKXWXKRV-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.15
Rot. Bonds6

About N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine

N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine (PubChem CID 116931207) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
PubChem CID116931207
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine
SMILESCNCC(Cc1cc(C(C)C)ccc1C)C(C)C
InChIInChI=1S/C17H29N/c1-12(2)15-8-7-14(5)16(9-15)10-17(11-18-6)13(3)4/h7-9,12-13,17-18H,10-11H2,1-6H3
InChIKeyQITVCRAKXWXKRV-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-[(2,3,4-trimethylphenyl)methyl]butan-1-amine
CID 116931239
(2-methyl-5-propan-2-ylphenyl)methanethiol
CID 21131530
2-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931204
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
2-[(2-methoxy-4,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931174
2-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-1-amine
CID 143689157
N-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115197860
3-methyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butanoic acid
CID 116930702
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 63522399
2-[(3,5-dimethylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 62529340
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931184
N-methyl-N-[(2-methyl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 117044047

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine (CID 116931207) is N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine is CNCC(Cc1cc(C(C)C)ccc1C)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine?
The InChIKey is QITVCRAKXWXKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-12(2)15-8-7-14(5)16(9-15)10-17(11-18-6)13(3)4/h7-9,12-13,17-18H,10-11H2,1-6H3.
What are the key properties of N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine?
N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-[(2-methyl-5-propan-2-ylphenyl)methyl]butan-1-amine is sourced from PubChem (CID 116931207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).