N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride

C14H30Cl2N2 — CID 21409916

IUPACN-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
SMILESCCNCC1(N2CCCCC2)CCCCC1.Cl.Cl
InChIInChI=1S/C14H28N2.2ClH/c1-2-15-13-14(9-5-3-6-10-14)16-11-7-4-8-12-16;;/h15H,2-13H2,1H3;2*1H
InChIKeyVLHZLFHXBXLFKR-UHFFFAOYSA-N
MW297.31 g/mol
LogP3.63
Rot. Bonds4

About N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride

N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride (PubChem CID 21409916) has the molecular formula C14H30Cl2N2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride.

Molecular Properties

Compound NameN-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
PubChem CID21409916
Molecular FormulaC14H30Cl2N2
Molecular Weight297.31 g/mol
Exact Mass296.18
IUPAC NameN-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride
SMILESCCNCC1(N2CCCCC2)CCCCC1.Cl.Cl
InChIInChI=1S/C14H28N2.2ClH/c1-2-15-13-14(9-5-3-6-10-14)16-11-7-4-8-12-16;;/h15H,2-13H2,1H3;2*1H
InChIKeyVLHZLFHXBXLFKR-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-piperidin-1-ylcyclohexyl)methyl]prop-2-yn-1-amine
CID 60692485
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901
3-ethylsulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propan-1-amine
CID 116503655
1-cyclopentyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 63420585
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
formic acid;2-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]butanamide
CID 154909466
2-[4-[[(1-piperidin-1-ylcyclopentyl)methylamino]methyl]phenyl]ethanamine
CID 131905433
N-[(1-piperidin-1-ylcyclohexyl)methyl]-1-(1H-pyrrol-3-yl)methanamine
CID 66410016
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]butan-2-amine
CID 115706769
(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148

Frequently Asked Questions

What is the IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride?
The IUPAC name of N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride (CID 21409916) is N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride.
What is the SMILES notation for N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride?
The canonical SMILES for N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride is CCNCC1(N2CCCCC2)CCCCC1.Cl.Cl.
What is the InChIKey of N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride?
The InChIKey is VLHZLFHXBXLFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.2ClH/c1-2-15-13-14(9-5-3-6-10-14)16-11-7-4-8-12-16;;/h15H,2-13H2,1H3;2*1H.
What are the key properties of N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride?
N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride has a molecular weight of 297.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-piperidin-1-ylcyclohexyl)methyl]ethanamine;dihydrochloride is sourced from PubChem (CID 21409916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).