N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine

C14H28N2S — CID 43296507

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine
SMILESCCC1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C14H28N2S/c1-3-12-4-7-14(11-15,8-5-12)16(2)13-6-9-17-10-13/h12-13H,3-11,15H2,1-2H3
InChIKeyISHGSICSYXVXCK-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds4

About N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine

N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine (PubChem CID 43296507) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine
PubChem CID43296507
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine
SMILESCCC1CCC(CN)(N(C)C2CCSC2)CC1
InChIInChI=1S/C14H28N2S/c1-3-12-4-7-14(11-15,8-5-12)16(2)13-6-9-17-10-13/h12-13H,3-11,15H2,1-2H3
InChIKeyISHGSICSYXVXCK-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 64753687
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CID 64759036
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CID 115985663
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CID 116415565
CID 116415565
CID 59525171
CID 59525171
CID 70841799
CID 70841799
CID 28787082
CID 28787082
CID 28787120
CID 28787120
CID 43180773
CID 43180773
CID 43296422
CID 43296422
CID 43296491
CID 43296491

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine (CID 43296507) is N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine is CCC1CCC(CN)(N(C)C2CCSC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine?
The InChIKey is ISHGSICSYXVXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-3-12-4-7-14(11-15,8-5-12)16(2)13-6-9-17-10-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine?
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 43296507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).