4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline

C17H28N2O — CID 63794010

IUPAC4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1cc(CC(C)N)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C17H28N2O/c1-13-10-15(11-14(2)18)7-8-17(13)19(3)12-16-6-4-5-9-20-16/h7-8,10,14,16H,4-6,9,11-12,18H2,1-3H3
InChIKeyDDQFZJYALBTIII-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.89
Rot. Bonds5

About 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline

4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline (PubChem CID 63794010) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
PubChem CID63794010
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline
SMILESCc1cc(CC(C)N)ccc1N(C)CC1CCCCO1
InChIInChI=1S/C17H28N2O/c1-13-10-15(11-14(2)18)7-8-17(13)19(3)12-16-6-4-5-9-20-16/h7-8,10,14,16H,4-6,9,11-12,18H2,1-3H3
InChIKeyDDQFZJYALBTIII-UHFFFAOYSA-N
XLogP2.89
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminobutyl)-N,2-dimethyl-N-(oxolan-2-ylmethyl)aniline
CID 63817565
4-(2-aminopropyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63817737
4-(2-aminopropyl)-N-cyclopentyl-N,2-dimethylaniline
CID 63786126
N,2-dimethyl-4-[(2-methylpropylamino)methyl]-N-(oxolan-2-ylmethyl)aniline
CID 63060808
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
4-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 43591832
2-(1-aminoethyl)-3-fluoro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 61432188
4-(2-aminopropyl)-N,N,2-trimethylaniline
CID 3043622
3-methyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenecarboximidamide
CID 61432084
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 82972442

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline?
The IUPAC name of 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline (CID 63794010) is 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline.
What is the SMILES notation for 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline?
The canonical SMILES for 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline is Cc1cc(CC(C)N)ccc1N(C)CC1CCCCO1.
What is the InChIKey of 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline?
The InChIKey is DDQFZJYALBTIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13-10-15(11-14(2)18)7-8-17(13)19(3)12-16-6-4-5-9-20-16/h7-8,10,14,16H,4-6,9,11-12,18H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline?
4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline has a molecular weight of 276.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,2-dimethyl-N-(oxan-2-ylmethyl)aniline is sourced from PubChem (CID 63794010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).