1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

C16H28N2S — CID 61452996

IUPAC1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)N(Cc1cccs1)C1(CN)CCCCC1C
InChIInChI=1S/C16H28N2S/c1-13(2)18(11-15-8-6-10-19-15)16(12-17)9-5-4-7-14(16)3/h6,8,10,13-14H,4-5,7,9,11-12,17H2,1-3H3
InChIKeyMEDBDPPHAJFBRD-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.87
Rot. Bonds5

About 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (PubChem CID 61452996) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
PubChem CID61452996
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC Name1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
SMILESCC(C)N(Cc1cccs1)C1(CN)CCCCC1C
InChIInChI=1S/C16H28N2S/c1-13(2)18(11-15-8-6-10-19-15)16(12-17)9-5-4-7-14(16)3/h6,8,10,13-14H,4-5,7,9,11-12,17H2,1-3H3
InChIKeyMEDBDPPHAJFBRD-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-2,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64761981
1-(aminomethyl)-2-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 79475974
1-(aminomethyl)-N,3-di(propan-2-yl)-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 103562740
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64762159
3-(aminomethyl)-4,4-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79947969
1-(aminomethyl)-N-cyclopropyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 54948660
1-N-propan-2-yl-1-N-(thiophen-2-ylmethyl)cycloheptane-1,2-diamine
CID 54946732
1-(aminomethyl)-2-ethyl-N-methyl-N-(2-thiophen-2-ylethyl)cyclopentan-1-amine
CID 113483797
3-(aminomethyl)-5,5-dimethyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)thian-3-amine
CID 79959004
2-N-cyclopropyl-3-methyl-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 54948407
3-(aminomethyl)-N,2-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)oxolan-3-amine
CID 82718623
1-(aminomethyl)-N,2,4,4-tetramethyl-N-(thiophen-2-ylmethyl)cyclopentan-1-amine
CID 106662989

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine (CID 61452996) is 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is CC(C)N(Cc1cccs1)C1(CN)CCCCC1C.
What is the InChIKey of 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is MEDBDPPHAJFBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-13(2)18(11-15-8-6-10-19-15)16(12-17)9-5-4-7-14(16)3/h6,8,10,13-14H,4-5,7,9,11-12,17H2,1-3H3.
What are the key properties of 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 280.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-methyl-N-propan-2-yl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 61452996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).