2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide

C11H23N3O2 — CID 103255271

IUPAC2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
SMILESNC(=O)C(N)CNCC1CCCCC1CO
InChIInChI=1S/C11H23N3O2/c12-10(11(13)16)6-14-5-8-3-1-2-4-9(8)7-15/h8-10,14-15H,1-7,12H2,(H2,13,16)
InChIKeyFKDWRGBVJBBFDT-UHFFFAOYSA-N
MW229.32 g/mol
LogP-0.81
Rot. Bonds6

About 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide

2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide (PubChem CID 103255271) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
PubChem CID103255271
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide
SMILESNC(=O)C(N)CNCC1CCCCC1CO
InChIInChI=1S/C11H23N3O2/c12-10(11(13)16)6-14-5-8-3-1-2-4-9(8)7-15/h8-10,14-15H,1-7,12H2,(H2,13,16)
InChIKeyFKDWRGBVJBBFDT-UHFFFAOYSA-N
XLogP-0.81
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[(2-hydroxycyclopentyl)methylamino]propanamide
CID 103255185
2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
2-amino-3-(oxan-3-ylmethylamino)propanamide
CID 103242267
2-amino-3-(cycloheptylamino)propanamide
CID 103237250
3-(cyclopentylmethylamino)-2-hydroxypropanamide
CID 106171619
2-amino-3-(cyclooctylamino)propanamide
CID 103233108
3-(cycloheptylmethylamino)-2-hydroxypropanamide
CID 106170462
2-(1-aminocyclobutyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 79854939
dimethyl carbonate;[2-(hydroxymethyl)cyclohexyl]methanol
CID 163689095
5-[[2-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103255247
2-amino-3-[(1-ethylpyrrolidin-3-yl)methylamino]propanamide
CID 103239633
1-(aminomethyl)-N-[[2-(hydroxymethyl)cyclohexyl]methyl]cyclobutane-1-carboxamide
CID 113311729

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
The IUPAC name of 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide (CID 103255271) is 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide.
What is the SMILES notation for 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
The canonical SMILES for 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide is NC(=O)C(N)CNCC1CCCCC1CO.
What is the InChIKey of 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
The InChIKey is FKDWRGBVJBBFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c12-10(11(13)16)6-14-5-8-3-1-2-4-9(8)7-15/h8-10,14-15H,1-7,12H2,(H2,13,16).
What are the key properties of 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide?
2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide has a molecular weight of 229.32 g/mol, XLogP of -0.81, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(hydroxymethyl)cyclohexyl]methylamino]propanamide is sourced from PubChem (CID 103255271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).