N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine

C15H32N2O — CID 62392039

IUPACN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(CN)CCOCC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-4-5-6-9-17(14(2)3)13-15(12-16)7-10-18-11-8-15/h14H,4-13,16H2,1-3H3
InChIKeyCJDIRTBVXDVRLU-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.64
Rot. Bonds8

About N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine

N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62392039) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62392039
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(CN)CCOCC1)C(C)C
InChIInChI=1S/C15H32N2O/c1-4-5-6-9-17(14(2)3)13-15(12-16)7-10-18-11-8-15/h14H,4-13,16H2,1-3H3
InChIKeyCJDIRTBVXDVRLU-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62259286
4-[[pentyl(propan-2-yl)amino]methyl]oxane-4-carboxylic acid
CID 62390838
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-propan-2-ylpentan-1-amine
CID 81170250
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
3-[propan-2-yl-[[3-(propylaminomethyl)oxolan-3-yl]methyl]amino]propan-1-ol
CID 62270792
[4-[[methyl(pentyl)amino]methyl]oxan-4-yl]methanol
CID 62391542
[4-(2-butoxyethyl)oxan-4-yl]methanamine
CID 62906946
4-methyl-4-[[pentyl(propan-2-yl)amino]methyl]oxolan-3-amine
CID 66263645
[4-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-4-yl]methanethiol
CID 82965927

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine (CID 62392039) is N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(CC1(CN)CCOCC1)C(C)C.
What is the InChIKey of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is CJDIRTBVXDVRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-5-6-9-17(14(2)3)13-15(12-16)7-10-18-11-8-15/h14H,4-13,16H2,1-3H3.
What are the key properties of N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62392039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).