N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine

C15H32N2O — CID 79489290

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC1(CN)CCOC1
InChIInChI=1S/C15H32N2O/c1-5-14(6-2)17(9-13(3)4)11-15(10-16)7-8-18-12-15/h13-14H,5-12,16H2,1-4H3
InChIKeyKSNABZPTUMYVBQ-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.50
Rot. Bonds8

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 79489290) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID79489290
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC1(CN)CCOC1
InChIInChI=1S/C15H32N2O/c1-5-14(6-2)17(9-13(3)4)11-15(10-16)7-8-18-12-15/h13-14H,5-12,16H2,1-4H3
InChIKeyKSNABZPTUMYVBQ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
CID 79490750
3-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxane-3-carboxylic acid
CID 79489776
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79483320
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62257645
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]-N-(2-methylpropyl)pentan-3-amine
CID 104678976
2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 79484038
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
CID 63741378
[3-[[ethyl(2-methylpropyl)amino]methyl]oxolan-3-yl]methanol
CID 62270740
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine (CID 79489290) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(CC(C)C)CC1(CN)CCOC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is KSNABZPTUMYVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-5-14(6-2)17(9-13(3)4)11-15(10-16)7-8-18-12-15/h13-14H,5-12,16H2,1-4H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 256.43 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 79489290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).