4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine

C17H34N2 — CID 79121112

IUPAC4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC1CCC(C(C)C)C(N(C)C2CCC(N)CC2)C1
InChIInChI=1S/C17H34N2/c1-12(2)16-10-5-13(3)11-17(16)19(4)15-8-6-14(18)7-9-15/h12-17H,5-11,18H2,1-4H3
InChIKeyWUYMAHZKVDJMAC-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds3

About 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 79121112) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID79121112
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
SMILESCC1CCC(C(C)C)C(N(C)C2CCC(N)CC2)C1
InChIInChI=1S/C17H34N2/c1-12(2)16-10-5-13(3)11-17(16)19(4)15-8-6-14(18)7-9-15/h12-17H,5-11,18H2,1-4H3
InChIKeyWUYMAHZKVDJMAC-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)azetidin-3-amine
CID 66187048
3-[cyclopropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 165490941
4-N-methyl-4-N-(4-methylcyclohexyl)cyclohexane-1,4-diamine
CID 62808155
4-N-methyl-4-N-(4-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 79121688
2-N-cycloheptyl-2-N,4-dimethylcyclohexane-1,2-diamine
CID 43614024
2-[cyclopropyl-(5-methyl-2-propan-2-ylcyclohexyl)amino]acetic acid
CID 65057481
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
4-N,4-N-dimethylcyclohexane-1,4-diamine;4-methylcyclohexan-1-amine;N,N,4-trimethylcyclohexan-1-amine
CID 160976846
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
(1R,3R,4R)-3-methyl-4-propan-2-ylcyclohexan-1-amine
CID 153443781
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)formamide
CID 25195885
N-ethyl-N-(5-methyl-2-propan-2-ylcyclohexyl)acetamide
CID 16734901

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine (CID 79121112) is 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine is CC1CCC(C(C)C)C(N(C)C2CCC(N)CC2)C1.
What is the InChIKey of 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is WUYMAHZKVDJMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-12(2)16-10-5-13(3)11-17(16)19(4)15-8-6-14(18)7-9-15/h12-17H,5-11,18H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(5-methyl-2-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79121112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).