ethane;(1-methylpiperidin-4-yl)methanamine

C9H22N2 — CID 91043349

IUPACethane;(1-methylpiperidin-4-yl)methanamine
SMILESCC.CN1CCC(CN)CC1
InChIInChI=1S/C7H16N2.C2H6/c1-9-4-2-7(6-8)3-5-9;1-2/h7H,2-6,8H2,1H3;1-2H3
InChIKeyNTNYOWLTNNXGNA-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds1

About ethane;(1-methylpiperidin-4-yl)methanamine

ethane;(1-methylpiperidin-4-yl)methanamine (PubChem CID 91043349) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is ethane;(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound Nameethane;(1-methylpiperidin-4-yl)methanamine
PubChem CID91043349
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Nameethane;(1-methylpiperidin-4-yl)methanamine
SMILESCC.CN1CCC(CN)CC1
InChIInChI=1S/C7H16N2.C2H6/c1-9-4-2-7(6-8)3-5-9;1-2/h7H,2-6,8H2,1H3;1-2H3
InChIKeyNTNYOWLTNNXGNA-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 114515912
ethane;1-methylpiperidin-4-amine
CID 123622295
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837
4-(aminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106052859
(1-fluoropiperidin-4-yl)methanamine
CID 88998861
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
(1,2-dimethyldiazinan-4-yl)methanamine
CID 84648894
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
2-methyl-1-(1-methylpiperidin-4-yl)propan-2-amine
CID 82598280

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of ethane;(1-methylpiperidin-4-yl)methanamine (CID 91043349) is ethane;(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for ethane;(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for ethane;(1-methylpiperidin-4-yl)methanamine is CC.CN1CCC(CN)CC1.
What is the InChIKey of ethane;(1-methylpiperidin-4-yl)methanamine?
The InChIKey is NTNYOWLTNNXGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.C2H6/c1-9-4-2-7(6-8)3-5-9;1-2/h7H,2-6,8H2,1H3;1-2H3.
What are the key properties of ethane;(1-methylpiperidin-4-yl)methanamine?
ethane;(1-methylpiperidin-4-yl)methanamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 91043349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).