3-(heptan-3-ylamino)propanamide

C10H22N2O — CID 63944906

IUPAC3-(heptan-3-ylamino)propanamide
SMILESCCCCC(CC)NCCC(N)=O
InChIInChI=1S/C10H22N2O/c1-3-5-6-9(4-2)12-8-7-10(11)13/h9,12H,3-8H2,1-2H3,(H2,11,13)
InChIKeyWWVRCNXUARCIRV-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.42
Rot. Bonds8

About 3-(heptan-3-ylamino)propanamide

3-(heptan-3-ylamino)propanamide (PubChem CID 63944906) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-(heptan-3-ylamino)propanamide.

Molecular Properties

Compound Name3-(heptan-3-ylamino)propanamide
PubChem CID63944906
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-(heptan-3-ylamino)propanamide
SMILESCCCCC(CC)NCCC(N)=O
InChIInChI=1S/C10H22N2O/c1-3-5-6-9(4-2)12-8-7-10(11)13/h9,12H,3-8H2,1-2H3,(H2,11,13)
InChIKeyWWVRCNXUARCIRV-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405
3-(1-hydroxybutan-2-ylamino)propanamide
CID 43389836
N'-heptan-3-ylethane-1,2-diamine
CID 63945337
3-(heptan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112700170
N-pentylheptan-3-amine
CID 63944300
N'-octan-3-ylbutanediamide
CID 82041118
ethyl N-[2-(heptan-3-ylamino)ethyl]carbamate
CID 115889515
methyl 2-[(4-amino-4-oxobutyl)amino]hexanoate
CID 103868400
5-(hexan-2-ylamino)pentanamide
CID 106234439
ethyl 2-[(3-amino-3-oxopropyl)amino]butanoate
CID 64668159
N-(2-methylsulfinylethyl)heptan-3-amine
CID 115720826
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-3-ylamino)propanamide?
The IUPAC name of 3-(heptan-3-ylamino)propanamide (CID 63944906) is 3-(heptan-3-ylamino)propanamide.
What is the SMILES notation for 3-(heptan-3-ylamino)propanamide?
The canonical SMILES for 3-(heptan-3-ylamino)propanamide is CCCCC(CC)NCCC(N)=O.
What is the InChIKey of 3-(heptan-3-ylamino)propanamide?
The InChIKey is WWVRCNXUARCIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-3-5-6-9(4-2)12-8-7-10(11)13/h9,12H,3-8H2,1-2H3,(H2,11,13).
What are the key properties of 3-(heptan-3-ylamino)propanamide?
3-(heptan-3-ylamino)propanamide has a molecular weight of 186.30 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-3-ylamino)propanamide is sourced from PubChem (CID 63944906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).