N-(3-aminopropyl)-N-propan-2-ylbutanamide

C10H22N2O — CID 43136655

IUPACN-(3-aminopropyl)-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(CCCN)C(C)C
InChIInChI=1S/C10H22N2O/c1-4-6-10(13)12(9(2)3)8-5-7-11/h9H,4-8,11H2,1-3H3
InChIKeyJEYXLSCHMFBGCB-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.37
Rot. Bonds6

About N-(3-aminopropyl)-N-propan-2-ylbutanamide

N-(3-aminopropyl)-N-propan-2-ylbutanamide (PubChem CID 43136655) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-propan-2-ylbutanamide
PubChem CID43136655
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(3-aminopropyl)-N-propan-2-ylbutanamide
SMILESCCCC(=O)N(CCCN)C(C)C
InChIInChI=1S/C10H22N2O/c1-4-6-10(13)12(9(2)3)8-5-7-11/h9H,4-8,11H2,1-3H3
InChIKeyJEYXLSCHMFBGCB-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-amino-N-propan-2-yl-N-propylhexanamide
CID 43269620
N-(3-bromopropyl)-N-propan-2-ylbutanamide
CID 80662184
3-amino-N-propan-2-yl-N-propylpropanamide
CID 43269470
N-(3-hydroxypropyl)-N-propan-2-ylpentanamide
CID 61039653
N-(3-aminopropyl)-3-methoxy-3-methyl-N-propan-2-ylbutanamide
CID 103017277
5-amino-N-(2-methylpropyl)-N-propan-2-ylpentanamide
CID 23588366
N-(3-aminopropyl)-2-cyclohexyl-N-propan-2-ylacetamide
CID 43136622
N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
N-(3-aminopropyl)-2-naphthalen-1-yl-N-propan-2-ylacetamide
CID 43319276
3-chloro-N-propan-2-yl-N-propylpropanamide
CID 43269467
N-heptan-2-yl-N-hexylbutanamide
CID 89281566
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-propan-2-ylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-propan-2-ylbutanamide (CID 43136655) is N-(3-aminopropyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-propan-2-ylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-propan-2-ylbutanamide is CCCC(=O)N(CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-N-propan-2-ylbutanamide?
The InChIKey is JEYXLSCHMFBGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-4-6-10(13)12(9(2)3)8-5-7-11/h9H,4-8,11H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-N-propan-2-ylbutanamide?
N-(3-aminopropyl)-N-propan-2-ylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 43136655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).