N,2-diethylcycloheptan-1-amine;propan-1-ol

C14H31NO — CID 71071624

IUPACN,2-diethylcycloheptan-1-amine;propan-1-ol
SMILESCCCO.CCNC1CCCCCC1CC
InChIInChI=1S/C11H23N.C3H8O/c1-3-10-8-6-5-7-9-11(10)12-4-2;1-2-3-4/h10-12H,3-9H2,1-2H3;4H,2-3H2,1H3
InChIKeyJBWBRJYBIQUBST-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds4

About N,2-diethylcycloheptan-1-amine;propan-1-ol

N,2-diethylcycloheptan-1-amine;propan-1-ol (PubChem CID 71071624) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is N,2-diethylcycloheptan-1-amine;propan-1-ol.

Molecular Properties

Compound NameN,2-diethylcycloheptan-1-amine;propan-1-ol
PubChem CID71071624
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC NameN,2-diethylcycloheptan-1-amine;propan-1-ol
SMILESCCCO.CCNC1CCCCCC1CC
InChIInChI=1S/C11H23N.C3H8O/c1-3-10-8-6-5-7-9-11(10)12-4-2;1-2-3-4/h10-12H,3-9H2,1-2H3;4H,2-3H2,1H3
InChIKeyJBWBRJYBIQUBST-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
CID 71071435
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
CID 62614980
trans-(1R,2S)-N-ethyl-2-propylcyclopentan-1-amine
CID 11665449
[1-[[(2-ethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81412676
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
2-[cyclobutyl-[[2-(ethylamino)cyclohexyl]methyl]amino]ethanol
CID 102871036
2-ethyl-2-[[(2-ethylcyclohexyl)amino]methyl]butan-1-ol
CID 81412753
1-N-ethylcyclononane-1,2-diamine
CID 123480411
2-[2-[[2-(ethylamino)cyclohexyl]methyl-methylamino]ethoxy]ethanol
CID 114243650
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196

Frequently Asked Questions

What is the IUPAC name of N,2-diethylcycloheptan-1-amine;propan-1-ol?
The IUPAC name of N,2-diethylcycloheptan-1-amine;propan-1-ol (CID 71071624) is N,2-diethylcycloheptan-1-amine;propan-1-ol.
What is the SMILES notation for N,2-diethylcycloheptan-1-amine;propan-1-ol?
The canonical SMILES for N,2-diethylcycloheptan-1-amine;propan-1-ol is CCCO.CCNC1CCCCCC1CC.
What is the InChIKey of N,2-diethylcycloheptan-1-amine;propan-1-ol?
The InChIKey is JBWBRJYBIQUBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C3H8O/c1-3-10-8-6-5-7-9-11(10)12-4-2;1-2-3-4/h10-12H,3-9H2,1-2H3;4H,2-3H2,1H3.
What are the key properties of N,2-diethylcycloheptan-1-amine;propan-1-ol?
N,2-diethylcycloheptan-1-amine;propan-1-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethylcycloheptan-1-amine;propan-1-ol is sourced from PubChem (CID 71071624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).