N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine

C12H25N — CID 130735085

IUPACN-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine
SMILESCCN(C)C1CCC(C)(C)CC1C
InChIInChI=1S/C12H25N/c1-6-13(5)11-7-8-12(3,4)9-10(11)2/h10-11H,6-9H2,1-5H3
InChIKeyDPVSRBHWCKVYII-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds2

About N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine

N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine (PubChem CID 130735085) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine
PubChem CID130735085
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine
SMILESCCN(C)C1CCC(C)(C)CC1C
InChIInChI=1S/C12H25N/c1-6-13(5)11-7-8-12(3,4)9-10(11)2/h10-11H,6-9H2,1-5H3
InChIKeyDPVSRBHWCKVYII-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,4,4-tetramethyl-N-(piperidin-4-ylmethyl)cyclohexan-1-amine
CID 81314828
1-N,4-dimethyl-1-N-(2,4,4-trimethylcyclohexyl)pentane-1,3-diamine
CID 113285441
N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
CID 81320842
N-propyl-N-(2,4,4-trimethylcyclohexyl)azetidin-3-amine
CID 81315317
1-N,4-N-dimethyl-4-N-(2,4,4-trimethylcyclohexyl)cyclohexane-1,4-diamine
CID 81314437
N-ethyl-2,4,4-trimethyl-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 106622647
2-[2-(dimethylamino)ethyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 107426101
2-[cyclopentyl-(2,4,4-trimethylcyclohexyl)amino]acetic acid
CID 81313655
2-(4-methyl-N-(2,4,4-trimethylcyclohexyl)anilino)acetic acid
CID 81305522
1-N-ethyl-1-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79829556
4-butan-2-yl-1,1,3-trimethylcyclohexane
CID 142412996
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine (CID 130735085) is N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine is CCN(C)C1CCC(C)(C)CC1C.
What is the InChIKey of N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine?
The InChIKey is DPVSRBHWCKVYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-6-13(5)11-7-8-12(3,4)9-10(11)2/h10-11H,6-9H2,1-5H3.
What are the key properties of N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine?
N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2,4,4-tetramethylcyclohexan-1-amine is sourced from PubChem (CID 130735085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).