N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide

C14H28N2O — CID 55012121

IUPACN-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC1CCCCC1C
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-8-14(17)16-10-13-7-5-4-6-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyRMRYVBKRGQGDHF-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds6

About N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide

N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide (PubChem CID 55012121) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
PubChem CID55012121
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
SMILESCC(C)NCCC(=O)NCC1CCCCC1C
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-8-14(17)16-10-13-7-5-4-6-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyRMRYVBKRGQGDHF-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107418378
N-[(2-methylcyclopentyl)methyl]butanamide
CID 107420814
N-[(2-hydroxycyclohexyl)methyl]-4-(propan-2-ylamino)butanamide
CID 64910772
3-bromo-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417690
3-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107417700
7-amino-N-[(2-methylcyclohexyl)methyl]heptanamide
CID 55012025
5-hydroxy-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107420801
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
5-bromo-N-[(2-methylcyclopentyl)methyl]pentanamide
CID 107910816
(2S)-2-amino-N-[(2-methylcyclopentyl)methyl]propanamide
CID 107418588
2-[2-[(2-methylcyclohexyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569777
4-methyl-6-[(2-methylcyclopentyl)methylcarbamoylamino]hexanoic acid
CID 107419995

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide (CID 55012121) is N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide is CC(C)NCCC(=O)NCC1CCCCC1C.
What is the InChIKey of N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is RMRYVBKRGQGDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-9-8-14(17)16-10-13-7-5-4-6-12(13)3/h11-13,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide?
N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)methyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 55012121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).