N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine

C14H29NO — CID 165490215

IUPACN-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine
SMILESCCCOC1(CNC)CCCC(C(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-9-16-14(11-15-4)8-6-7-13(10-14)12(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyDDQYZNCLTXXPCI-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

About N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine

N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine (PubChem CID 165490215) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine
PubChem CID165490215
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine
SMILESCCCOC1(CNC)CCCC(C(C)C)C1
InChIInChI=1S/C14H29NO/c1-5-9-16-14(11-15-4)8-6-7-13(10-14)12(2)3/h12-13,15H,5-11H2,1-4H3
InChIKeyDDQYZNCLTXXPCI-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propan-2-yl-1-propoxycyclohexyl)methanol
CID 165490015
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
N-[(1-propoxycyclopentyl)methyl]cyclopropanamine
CID 62107293
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
N-methyl-1-[1-(2-methylpentoxy)cyclohexyl]methanamine
CID 103285151
N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 82956772
N-[[1-(3-methylbutoxy)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 63475515
N-methyl-1-[1-(5-methyl-2-propan-2-ylcyclohexyl)oxycyclohexyl]methanamine
CID 63475700
N-methyl-1-[1-(2-methylpropoxy)cycloheptyl]methanamine
CID 62106698
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 114342149

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine (CID 165490215) is N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine is CCCOC1(CNC)CCCC(C(C)C)C1.
What is the InChIKey of N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine?
The InChIKey is DDQYZNCLTXXPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-16-14(11-15-4)8-6-7-13(10-14)12(2)3/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine?
N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yl-1-propoxycyclohexyl)methanamine is sourced from PubChem (CID 165490215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).