N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine

C10H22N2O — CID 115440025

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN)CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-8-10(7-11)3-5-13-6-4-10/h9,12H,3-8,11H2,1-2H3
InChIKeyCMQSVTBTAJJPCA-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.74
Rot. Bonds4

About N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine (PubChem CID 115440025) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
PubChem CID115440025
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN)CCOCC1
InChIInChI=1S/C10H22N2O/c1-9(2)12-8-10(7-11)3-5-13-6-4-10/h9,12H,3-8,11H2,1-2H3
InChIKeyCMQSVTBTAJJPCA-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethyloxan-4-yl)methyl]propan-2-amine
CID 62905554
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
N-[[4-(aminomethyl)oxan-4-yl]methyl]-4,4,4-trifluorobutan-2-amine
CID 114131997
N-[(4-nonyloxan-4-yl)methyl]propan-2-amine
CID 63502493
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-methylcyclohexan-1-amine
CID 115440047
N-ethyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391813
N-ethyl-2-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62392347
N-methyl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62392512
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
N-[[4-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392915
3-methyl-1-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]piperidin-4-ol
CID 114682037
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine (CID 115440025) is N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine is CC(C)NCC1(CN)CCOCC1.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine?
The InChIKey is CMQSVTBTAJJPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(2)12-8-10(7-11)3-5-13-6-4-10/h9,12H,3-8,11H2,1-2H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine has a molecular weight of 186.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 115440025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).