N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide

C12H27N3O — CID 63983300

IUPACN-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
SMILESCCC(C)(C)N(C)CC(=O)N(C)CCCN
InChIInChI=1S/C12H27N3O/c1-6-12(2,3)15(5)10-11(16)14(4)9-7-8-13/h6-10,13H2,1-5H3
InChIKeyYCXDBJHQLBZJDC-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.91
Rot. Bonds7

About N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide

N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide (PubChem CID 63983300) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
PubChem CID63983300
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide
SMILESCCC(C)(C)N(C)CC(=O)N(C)CCCN
InChIInChI=1S/C12H27N3O/c1-6-12(2,3)15(5)10-11(16)14(4)9-7-8-13/h6-10,13H2,1-5H3
InChIKeyYCXDBJHQLBZJDC-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869399
N-(3-amino-3-sulfanylidenepropyl)-N-methyl-3-[methyl(2-methylbutan-2-yl)amino]propanamide
CID 63983390
N-(3-aminopropyl)-N-methyl-2-[2-methylpropyl(pentan-3-yl)amino]acetamide
CID 79483679
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
1-[methyl(2-methylbutan-2-yl)amino]butan-2-one
CID 63966415
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
ethyl 4-[methyl(2-methylbutan-2-yl)amino]-3-oxobutanoate
CID 63966632
2-(ethylamino)-2-methyl-5-[methyl(2-methylbutan-2-yl)amino]pentanamide
CID 63967557
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
N-(3-aminopropyl)-2-[cyclopropylmethyl(methyl)amino]-N-methylacetamide
CID 60985762

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide (CID 63983300) is N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide is CCC(C)(C)N(C)CC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
The InChIKey is YCXDBJHQLBZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-12(2,3)15(5)10-11(16)14(4)9-7-8-13/h6-10,13H2,1-5H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide?
N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-2-[methyl(2-methylbutan-2-yl)amino]acetamide is sourced from PubChem (CID 63983300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).