N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide

C13H29N3O — CID 43295435

IUPACN-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)CCC(=O)N(C)CCCN
InChIInChI=1S/C13H29N3O/c1-5-12(2)11-15(3)10-7-13(17)16(4)9-6-8-14/h12H,5-11,14H2,1-4H3
InChIKeyZADOYDDNTXNJSN-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.16
Rot. Bonds9

About N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide

N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide (PubChem CID 43295435) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
PubChem CID43295435
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide
SMILESCCC(C)CN(C)CCC(=O)N(C)CCCN
InChIInChI=1S/C13H29N3O/c1-5-12(2)11-15(3)10-7-13(17)16(4)9-6-8-14/h12H,5-11,14H2,1-4H3
InChIKeyZADOYDDNTXNJSN-UHFFFAOYSA-N
XLogP1.16
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-aminopentyl)-N,3-dimethylpentanamide
CID 107206770
methyl 3-[[3-[3-aminopropyl(methyl)amino]-3-oxopropyl]-methylamino]-2-methylpropanoate
CID 55183278
N-(3-aminopropyl)-3-[ethyl(2-ethylbutyl)amino]-N-methylpropanamide
CID 43588424
N-(3-aminopropyl)-N-methyl-2-(2-methylbutylsulfinyl)acetamide
CID 107767316
N-(3-aminopropyl)-3-[3,3-dimethylbutan-2-yl(methyl)amino]-N-methylpropanamide
CID 55006991
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392
5-amino-N-(5-hydroxypentyl)-N,4-dimethylpentanamide
CID 107199347
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide (CID 43295435) is N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide is CCC(C)CN(C)CCC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide?
The InChIKey is ZADOYDDNTXNJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-12(2)11-15(3)10-7-13(17)16(4)9-6-8-14/h12H,5-11,14H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide?
N-(3-aminopropyl)-N-methyl-3-[methyl(2-methylbutyl)amino]propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.16, 9 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-3-[methyl(2-methylbutyl)amino]propanamide is sourced from PubChem (CID 43295435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).