N-methyl-1-(oxan-4-yl)hexan-3-amine

C12H25NO — CID 62386806

IUPACN-methyl-1-(oxan-4-yl)hexan-3-amine
SMILESCCCC(CCC1CCOCC1)NC
InChIInChI=1S/C12H25NO/c1-3-4-12(13-2)6-5-11-7-9-14-10-8-11/h11-13H,3-10H2,1-2H3
InChIKeySMPKHQBJPNXBHN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.58
Rot. Bonds6

About N-methyl-1-(oxan-4-yl)hexan-3-amine

N-methyl-1-(oxan-4-yl)hexan-3-amine (PubChem CID 62386806) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-1-(oxan-4-yl)hexan-3-amine.

Molecular Properties

Compound NameN-methyl-1-(oxan-4-yl)hexan-3-amine
PubChem CID62386806
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN-methyl-1-(oxan-4-yl)hexan-3-amine
SMILESCCCC(CCC1CCOCC1)NC
InChIInChI=1S/C12H25NO/c1-3-4-12(13-2)6-5-11-7-9-14-10-8-11/h11-13H,3-10H2,1-2H3
InChIKeySMPKHQBJPNXBHN-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
N-methyl-1-(oxan-4-yl)hexan-2-amine
CID 79404472
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
CID 79923379
4-(3-chlorohexyl)oxane
CID 62384630
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
1-cyclopropyl-N-methyltetradecan-3-amine
CID 104995022
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
N,4,4-trimethyl-1-(oxan-4-yl)pentan-2-amine
CID 63891515
1-(oxan-4-yl)pentan-3-amine
CID 62386440
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxan-4-yl)hexan-3-amine?
The IUPAC name of N-methyl-1-(oxan-4-yl)hexan-3-amine (CID 62386806) is N-methyl-1-(oxan-4-yl)hexan-3-amine.
What is the SMILES notation for N-methyl-1-(oxan-4-yl)hexan-3-amine?
The canonical SMILES for N-methyl-1-(oxan-4-yl)hexan-3-amine is CCCC(CCC1CCOCC1)NC.
What is the InChIKey of N-methyl-1-(oxan-4-yl)hexan-3-amine?
The InChIKey is SMPKHQBJPNXBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-4-12(13-2)6-5-11-7-9-14-10-8-11/h11-13H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-(oxan-4-yl)hexan-3-amine?
N-methyl-1-(oxan-4-yl)hexan-3-amine has a molecular weight of 199.34 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxan-4-yl)hexan-3-amine is sourced from PubChem (CID 62386806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).