2-amino-3-(hexan-2-ylamino)propanamide

C9H21N3O — CID 103248372

IUPAC2-amino-3-(hexan-2-ylamino)propanamide
SMILESCCCCC(C)NCC(N)C(N)=O
InChIInChI=1S/C9H21N3O/c1-3-4-5-7(2)12-6-8(10)9(11)13/h7-8,12H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyKFBGBNYQKIZMIC-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.03
Rot. Bonds7

About 2-amino-3-(hexan-2-ylamino)propanamide

2-amino-3-(hexan-2-ylamino)propanamide (PubChem CID 103248372) has the molecular formula C9H21N3O and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-amino-3-(hexan-2-ylamino)propanamide.

Molecular Properties

Compound Name2-amino-3-(hexan-2-ylamino)propanamide
PubChem CID103248372
Molecular FormulaC9H21N3O
Molecular Weight187.29 g/mol
Exact Mass187.17
IUPAC Name2-amino-3-(hexan-2-ylamino)propanamide
SMILESCCCCC(C)NCC(N)C(N)=O
InChIInChI=1S/C9H21N3O/c1-3-4-5-7(2)12-6-8(10)9(11)13/h7-8,12H,3-6,10H2,1-2H3,(H2,11,13)
InChIKeyKFBGBNYQKIZMIC-UHFFFAOYSA-N
XLogP-0.03
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(heptan-2-ylamino)-2-methylpropanamide
CID 61464618
1-N-hexan-2-ylpropane-1,2-diamine
CID 62201000
2-hydroxy-3-(octan-2-ylamino)propanamide
CID 106171085
2-amino-3-(pent-4-yn-2-ylamino)propanamide
CID 103266012
2-amino-3-[(1-amino-1-oxopropan-2-yl)amino]propanamide
CID 103238893
2-amino-3-(butylamino)propanamide
CID 103232681
5-(hexan-2-ylamino)pentanamide
CID 106234439
1-N-hexan-2-yl-4-methylpentane-1,2-diamine
CID 62200998
(2S)-2-amino-N-hexan-2-ylbutanamide
CID 79023466
2-amino-3-(3-ethylpentan-2-ylamino)propanamide
CID 103250759
1-N-hexan-2-yl-2-methylheptane-1,6-diamine
CID 65295730
(2S)-N-(2,3-dimethylbutyl)hexan-2-amine
CID 134386655

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(hexan-2-ylamino)propanamide?
The IUPAC name of 2-amino-3-(hexan-2-ylamino)propanamide (CID 103248372) is 2-amino-3-(hexan-2-ylamino)propanamide.
What is the SMILES notation for 2-amino-3-(hexan-2-ylamino)propanamide?
The canonical SMILES for 2-amino-3-(hexan-2-ylamino)propanamide is CCCCC(C)NCC(N)C(N)=O.
What is the InChIKey of 2-amino-3-(hexan-2-ylamino)propanamide?
The InChIKey is KFBGBNYQKIZMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O/c1-3-4-5-7(2)12-6-8(10)9(11)13/h7-8,12H,3-6,10H2,1-2H3,(H2,11,13).
What are the key properties of 2-amino-3-(hexan-2-ylamino)propanamide?
2-amino-3-(hexan-2-ylamino)propanamide has a molecular weight of 187.29 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(hexan-2-ylamino)propanamide is sourced from PubChem (CID 103248372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).