1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine

C14H27NO — CID 65399325

IUPAC1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCCCCC1)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h12-15H,2-11H2,1H3
InChIKeyCLMBMKLGOSPNHR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.97
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine

1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 65399325) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID65399325
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCCCCC1)C1CCOCC1
InChIInChI=1S/C14H27NO/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h12-15H,2-11H2,1H3
InChIKeyCLMBMKLGOSPNHR-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-N-methyl-1-(oxolan-3-yl)methanamine
CID 80603950
1-cycloheptyl-1-cyclopropyl-N-methylmethanamine
CID 65399883
N-methyl-1-(oxan-4-yl)-1-(oxolan-3-yl)methanamine
CID 65330243
N-methyl-1-(2-methylcyclopropyl)-1-(oxan-4-yl)methanamine
CID 65421926
1-cyclohexyl-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914062
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
CID 115855813
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65410719
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
1-cycloheptyl-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 65399795
1-cyclopentyl-N-methyl-1-morpholin-3-ylmethanamine
CID 116956602
propan-2-ylcyclohexane;4-propan-2-yloxane;3-propan-2-yloxetane
CID 167674182
1-cyclohexyl-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105080029

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine (CID 65399325) is 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1CCCCCC1)C1CCOCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is CLMBMKLGOSPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-15-14(13-8-10-16-11-9-13)12-6-4-2-3-5-7-12/h12-15H,2-11H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine?
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 225.38 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 65399325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).