N-(2-methylpropyl)oxan-4-amine;molecular hydrogen

C9H21NO — CID 156813143

IUPACN-(2-methylpropyl)oxan-4-amine;molecular hydrogen
SMILESCC(C)CNC1CCOCC1.[H][H]
InChIInChI=1S/C9H19NO.H2/c1-8(2)7-10-9-3-5-11-6-4-9;/h8-10H,3-7H2,1-2H3;1H
InChIKeyIYHXOUAYVNSFGT-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds3

About N-(2-methylpropyl)oxan-4-amine;molecular hydrogen

N-(2-methylpropyl)oxan-4-amine;molecular hydrogen (PubChem CID 156813143) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(2-methylpropyl)oxan-4-amine;molecular hydrogen.

Molecular Properties

Compound NameN-(2-methylpropyl)oxan-4-amine;molecular hydrogen
PubChem CID156813143
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(2-methylpropyl)oxan-4-amine;molecular hydrogen
SMILESCC(C)CNC1CCOCC1.[H][H]
InChIInChI=1S/C9H19NO.H2/c1-8(2)7-10-9-3-5-11-6-4-9;/h8-10H,3-7H2,1-2H3;1H
InChIKeyIYHXOUAYVNSFGT-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
N'-hydroxy-2-methyl-3-(oxan-4-ylamino)propanimidamide
CID 77028829
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
CID 104586206
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
CID 115690960
N'-methyl-N-(oxan-4-yl)-N'-propan-2-ylmethanediamine
CID 158109886
2,4-dimethyl-1-(oxan-4-ylamino)pentan-2-ol
CID 66180282

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)oxan-4-amine;molecular hydrogen?
The IUPAC name of N-(2-methylpropyl)oxan-4-amine;molecular hydrogen (CID 156813143) is N-(2-methylpropyl)oxan-4-amine;molecular hydrogen.
What is the SMILES notation for N-(2-methylpropyl)oxan-4-amine;molecular hydrogen?
The canonical SMILES for N-(2-methylpropyl)oxan-4-amine;molecular hydrogen is CC(C)CNC1CCOCC1.[H][H].
What is the InChIKey of N-(2-methylpropyl)oxan-4-amine;molecular hydrogen?
The InChIKey is IYHXOUAYVNSFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.H2/c1-8(2)7-10-9-3-5-11-6-4-9;/h8-10H,3-7H2,1-2H3;1H.
What are the key properties of N-(2-methylpropyl)oxan-4-amine;molecular hydrogen?
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen has a molecular weight of 159.27 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)oxan-4-amine;molecular hydrogen is sourced from PubChem (CID 156813143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).