3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide

C18H30N2O — CID 102978276

IUPAC3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C18H30N2O/c1-14(2)8-10-20(11-9-15(3)4)18(21)17-7-5-6-16(12-17)13-19/h5-7,12,14-15H,8-11,13,19H2,1-4H3
InChIKeyFCJMIZVYQIZLEZ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.68
Rot. Bonds8

About 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide

3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide (PubChem CID 102978276) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
PubChem CID102978276
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1cccc(CN)c1
InChIInChI=1S/C18H30N2O/c1-14(2)8-10-20(11-9-15(3)4)18(21)17-7-5-6-16(12-17)13-19/h5-7,12,14-15H,8-11,13,19H2,1-4H3
InChIKeyFCJMIZVYQIZLEZ-UHFFFAOYSA-N
XLogP3.68
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N,N-bis(3-methylbutyl)benzamide
CID 60939254
3-(aminomethyl)-N,N-dibutylbenzamide
CID 28982335
3-iodo-N,N-bis(3-methylbutyl)benzamide
CID 60653047
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
3-amino-4-methyl-N,N-bis(3-methylbutyl)benzamide
CID 60939470
4-amino-N,N-bis(3-methylbutyl)benzamide;hydrochloride
CID 119672598
4-methylpentan-2-yl 3-(aminomethyl)benzoate
CID 61278416
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-[[bis(3-methylbutyl)amino]methyl]benzoic acid
CID 107870320
2-[[3-(benzenesulfonylmethyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193442
3-(3-aminoprop-1-ynyl)-N,N-bis(2-methylpropyl)benzamide
CID 61378884
4-methylpentyl 3-[bis(2-methylpropyl)carbamoyl]benzoate
CID 91737153

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide?
The IUPAC name of 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide (CID 102978276) is 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide is CC(C)CCN(CCC(C)C)C(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide?
The InChIKey is FCJMIZVYQIZLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-14(2)8-10-20(11-9-15(3)4)18(21)17-7-5-6-16(12-17)13-19/h5-7,12,14-15H,8-11,13,19H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide?
3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide has a molecular weight of 290.45 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-bis(3-methylbutyl)benzamide is sourced from PubChem (CID 102978276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).