4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline

C16H26N2O — CID 43591835

IUPAC4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(CC1CCCCO1)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)18(12-16-5-3-4-10-19-16)15-8-6-14(11-17)7-9-15/h6-9,13,16H,3-5,10-12,17H2,1-2H3
InChIKeyVMXDWUBNVUEWBM-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.93
Rot. Bonds5

About 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline

4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline (PubChem CID 43591835) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline
PubChem CID43591835
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(CC1CCCCO1)c1ccc(CN)cc1
InChIInChI=1S/C16H26N2O/c1-13(2)18(12-16-5-3-4-10-19-16)15-8-6-14(11-17)7-9-15/h6-9,13,16H,3-5,10-12,17H2,1-2H3
InChIKeyVMXDWUBNVUEWBM-UHFFFAOYSA-N
XLogP2.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
4-[[[(2R)-oxan-2-yl]methyl-propan-2-ylamino]methyl]aniline
CID 93204540
N-methyl-N-(oxan-2-ylmethyl)-4-[(propan-2-ylamino)methyl]aniline
CID 61432168
[4-(oxolan-2-ylmethyl)phenyl]methanamine
CID 174382096
3-[[oxan-2-ylmethyl(propan-2-yl)amino]methyl]aniline
CID 43591946
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 61430922
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 63794010
4-[[ethyl(oxan-2-ylmethyl)amino]methyl]aniline
CID 43591939
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
N-[4-(aminomethyl)phenyl]-N-methyloxane-2-carboxamide
CID 55048035
4-(ethylaminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432121
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline?
The IUPAC name of 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline (CID 43591835) is 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline is CC(C)N(CC1CCCCO1)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline?
The InChIKey is VMXDWUBNVUEWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)18(12-16-5-3-4-10-19-16)15-8-6-14(11-17)7-9-15/h6-9,13,16H,3-5,10-12,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline?
4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline has a molecular weight of 262.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxan-2-ylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 43591835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).