N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine

C14H27NO — CID 115002291

IUPACN-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
SMILESCC1CCCC(OC(C)CCNC2CC2)C1
InChIInChI=1S/C14H27NO/c1-11-4-3-5-14(10-11)16-12(2)8-9-15-13-6-7-13/h11-15H,3-10H2,1-2H3
InChIKeyHEGIZRUICZSZJQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds6

About N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine

N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine (PubChem CID 115002291) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
PubChem CID115002291
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine
SMILESCC1CCCC(OC(C)CCNC2CC2)C1
InChIInChI=1S/C14H27NO/c1-11-4-3-5-14(10-11)16-12(2)8-9-15-13-6-7-13/h11-15H,3-10H2,1-2H3
InChIKeyHEGIZRUICZSZJQ-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylcyclohexyl)oxypropyl]cyclopentanamine
CID 62598845
3-cyclobutyloxy-N-methylbutan-1-amine
CID 114997103
2-(cyclopropylamino)-2-methyl-4-(3-methylcyclohexyl)oxypentanenitrile
CID 64725366
3-methyl-N-(3-methylsulfanylbutyl)cyclohexan-1-amine
CID 115653141
(2S)-4-[[(1S,3R)-3-methylcyclopentyl]amino]butan-2-ol
CID 124674906
(2R)-4-[[(1S,3S)-3-methylcyclopentyl]amino]butan-2-ol
CID 96784285
3-methyl-N-[2-(3-methylbutoxy)ethyl]cyclohexan-1-amine
CID 61483630
N-(2-cycloheptyloxyethyl)-3-methylcyclohexan-1-amine
CID 62585347
3-(3-methylcyclohexyl)oxybutanimidamide
CID 114995551
1-N-(3-methylcyclopentyl)hexane-1,3-diamine
CID 114547292
2-methyl-2-(methylamino)-4-(3-methylcyclohexyl)oxypentanamide
CID 64707548
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine?
The IUPAC name of N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine (CID 115002291) is N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine is CC1CCCC(OC(C)CCNC2CC2)C1.
What is the InChIKey of N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine?
The InChIKey is HEGIZRUICZSZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-4-3-5-14(10-11)16-12(2)8-9-15-13-6-7-13/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine?
N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methylcyclohexyl)oxybutyl]cyclopropanamine is sourced from PubChem (CID 115002291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).