2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide

C16H35N3O — CID 107471656

IUPAC2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H35N3O/c1-13(2)12-19(9-8-18(6)7)15(20)14(11-17)10-16(3,4)5/h13-14H,8-12,17H2,1-7H3
InChIKeyCZRXCYMATJSUDH-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.04
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide

2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide (PubChem CID 107471656) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
PubChem CID107471656
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide
SMILESCC(C)CN(CCN(C)C)C(=O)C(CN)CC(C)(C)C
InChIInChI=1S/C16H35N3O/c1-13(2)12-19(9-8-18(6)7)15(20)14(11-17)10-16(3,4)5/h13-14H,8-12,17H2,1-7H3
InChIKeyCZRXCYMATJSUDH-UHFFFAOYSA-N
XLogP2.04
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-4-oxobutanoic acid
CID 64896709
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
2-(aminomethyl)-N,N-dibutyl-4,4-dimethylpentanamide
CID 107471112
2-(aminomethyl)-N,4,4-trimethyl-N-(4-methylpentan-2-yl)pentanamide
CID 107471541
2-(aminomethyl)-N,N-bis(2-cyanoethyl)-4,4-dimethylpentanamide
CID 107471659
3-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-phenylpropanamide
CID 62879070
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
tert-butyl N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)carbamate
CID 65142781
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79805335
2-(aminomethyl)-N-butyl-N,4,4-trimethylpentanamide
CID 107470989
2-(aminomethyl)-N-(2-hydroxyethyl)-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471673
2-(aminomethyl)-N-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 107471569

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide (CID 107471656) is 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide is CC(C)CN(CCN(C)C)C(=O)C(CN)CC(C)(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide?
The InChIKey is CZRXCYMATJSUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-13(2)12-19(9-8-18(6)7)15(20)14(11-17)10-16(3,4)5/h13-14H,8-12,17H2,1-7H3.
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide?
2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide has a molecular weight of 285.48 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylamino)ethyl]-4,4-dimethyl-N-(2-methylpropyl)pentanamide is sourced from PubChem (CID 107471656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).