[1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen

C10H28N2 — CID 142304620

IUPAC[1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen
SMILESCC.NCC1(CN)CCCCC1.[H][H].[H][H]
InChIInChI=1S/C8H18N2.C2H6.2H2/c9-6-8(7-10)4-2-1-3-5-8;1-2;;/h1-7,9-10H2;1-2H3;2*1H
InChIKeySFQMCBBUVKOWKZ-UHFFFAOYSA-N
MW176.35 g/mol
LogP2.37
Rot. Bonds2

About [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen

[1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen (PubChem CID 142304620) has the molecular formula C10H28N2 and a molecular weight of 176.35 g/mol. Its IUPAC name is [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen.

Molecular Properties

Compound Name[1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen
PubChem CID142304620
Molecular FormulaC10H28N2
Molecular Weight176.35 g/mol
Exact Mass176.23
IUPAC Name[1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen
SMILESCC.NCC1(CN)CCCCC1.[H][H].[H][H]
InChIInChI=1S/C8H18N2.C2H6.2H2/c9-6-8(7-10)4-2-1-3-5-8;1-2;;/h1-7,9-10H2;1-2H3;2*1H
InChIKeySFQMCBBUVKOWKZ-UHFFFAOYSA-N
XLogP2.37
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen?
The IUPAC name of [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen (CID 142304620) is [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen.
What is the SMILES notation for [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen?
The canonical SMILES for [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen is CC.NCC1(CN)CCCCC1.[H][H].[H][H].
What is the InChIKey of [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen?
The InChIKey is SFQMCBBUVKOWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2H6.2H2/c9-6-8(7-10)4-2-1-3-5-8;1-2;;/h1-7,9-10H2;1-2H3;2*1H.
What are the key properties of [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen?
[1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen has a molecular weight of 176.35 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclohexyl]methanamine;ethane;molecular hydrogen is sourced from PubChem (CID 142304620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).