N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide

C17H34N2O2 — CID 43254214

IUPACN-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide
SMILESCC1CCC(C(C)C)C(OCCC(=O)N(C)CCCN)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)15-7-6-14(3)12-16(15)21-11-8-17(20)19(4)10-5-9-18/h13-16H,5-12,18H2,1-4H3
InChIKeyUBJSYEUCKATQFT-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.66
Rot. Bonds8

About N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide

N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide (PubChem CID 43254214) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide
PubChem CID43254214
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide
SMILESCC1CCC(C(C)C)C(OCCC(=O)N(C)CCCN)C1
InChIInChI=1S/C17H34N2O2/c1-13(2)15-7-6-14(3)12-16(15)21-11-8-17(20)19(4)10-5-9-18/h13-16H,5-12,18H2,1-4H3
InChIKeyUBJSYEUCKATQFT-UHFFFAOYSA-N
XLogP2.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-methyl-2-propan-2-ylcyclohexyl)oxypentan-1-amine
CID 54966296
3-[methyl-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119362785
N-(2-hydroxyethyl)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetamide
CID 19762372
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(5-methyl-2-propan-2-ylcyclohexyl) 5-amino-2-methylpentanoate
CID 104686009
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1-sulfonic acid
CID 87267060
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide?
The IUPAC name of N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide (CID 43254214) is N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide is CC1CCC(C(C)C)C(OCCC(=O)N(C)CCCN)C1.
What is the InChIKey of N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide?
The InChIKey is UBJSYEUCKATQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)15-7-6-14(3)12-16(15)21-11-8-17(20)19(4)10-5-9-18/h13-16H,5-12,18H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide?
N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide has a molecular weight of 298.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropanamide is sourced from PubChem (CID 43254214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).