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

C12H27N3O — CID 43269272

IUPACN-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)N(C)CCCN)C(C)C
InChIInChI=1S/C12H27N3O/c1-5-8-15(11(2)3)10-12(16)14(4)9-6-7-13/h11H,5-10,13H2,1-4H3
InChIKeyPKOUHJPWDIONBN-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.91
Rot. Bonds8

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

N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide (PubChem CID 43269272) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
PubChem CID43269272
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
SMILESCCCN(CC(=O)N(C)CCCN)C(C)C
InChIInChI=1S/C12H27N3O/c1-5-8-15(11(2)3)10-12(16)14(4)9-6-7-13/h11H,5-10,13H2,1-4H3
InChIKeyPKOUHJPWDIONBN-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932
N-(3-aminopropyl)-N-methyl-2-[2-methylpropyl(pentan-3-yl)amino]acetamide
CID 79483679
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869399
N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655
1-[propan-2-yl(propyl)amino]propan-2-one
CID 43795396
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(4-aminophenyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43375942

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide (CID 43269272) is N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide is CCCN(CC(=O)N(C)CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide?
The InChIKey is PKOUHJPWDIONBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-8-15(11(2)3)10-12(16)14(4)9-6-7-13/h11H,5-10,13H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide?
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide has a molecular weight of 229.37 g/mol, XLogP of 0.91, 8 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-[propan-2-yl(propyl)amino]acetamide is sourced from PubChem (CID 43269272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).