N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine

C14H30N2O — CID 104678800

IUPACN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)CCC1(CN)CCCCC1
InChIInChI=1S/C14H30N2O/c1-13(11-17-3)16(2)10-9-14(12-15)7-5-4-6-8-14/h13H,4-12,15H2,1-3H3
InChIKeyFLNZWUSSHSRQPR-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds7

About N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine (PubChem CID 104678800) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine
PubChem CID104678800
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine
SMILESCOCC(C)N(C)CCC1(CN)CCCCC1
InChIInChI=1S/C14H30N2O/c1-13(11-17-3)16(2)10-9-14(12-15)7-5-4-6-8-14/h13H,4-12,15H2,1-3H3
InChIKeyFLNZWUSSHSRQPR-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-methyl-1-methylsulfanylpropan-2-amine
CID 113440269
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398
[1-[2-(2-methylpropoxy)ethyl]cycloheptyl]methanamine
CID 106459323
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 81171349
1-methoxy-N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]propan-2-amine
CID 62257644
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62257645
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine
CID 104678976
ethane;[1-(2-methoxyethyl)cyclobutyl]methanamine
CID 156798324
[1-(2-propoxyethyl)cyclooctyl]methanamine
CID 106459345
[1-(2-ethoxyethyl)cyclopentyl]methanamine
CID 62724287

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine?
The IUPAC name of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine (CID 104678800) is N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine is COCC(C)N(C)CCC1(CN)CCCCC1.
What is the InChIKey of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine?
The InChIKey is FLNZWUSSHSRQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(11-17-3)16(2)10-9-14(12-15)7-5-4-6-8-14/h13H,4-12,15H2,1-3H3.
What are the key properties of N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine?
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-1-methoxy-N-methylpropan-2-amine is sourced from PubChem (CID 104678800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).