4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine

C17H35N3O — CID 65075878

IUPAC4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)CC2CCCOC2)CC1
InChIInChI=1S/C17H35N3O/c1-3-9-20-10-5-7-17(15-18,8-11-20)19(2)13-16-6-4-12-21-14-16/h16H,3-15,18H2,1-2H3
InChIKeyHJVIVUIKKGQMOF-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.94
Rot. Bonds6

About 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine

4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine (PubChem CID 65075878) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine
PubChem CID65075878
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine
SMILESCCCN1CCCC(CN)(N(C)CC2CCCOC2)CC1
InChIInChI=1S/C17H35N3O/c1-3-9-20-10-5-7-17(15-18,8-11-20)19(2)13-16-6-4-12-21-14-16/h16H,3-15,18H2,1-2H3
InChIKeyHJVIVUIKKGQMOF-UHFFFAOYSA-N
XLogP1.94
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65075625
4-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-1-propylazepan-4-amine
CID 65076225
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-1-propylpiperidin-4-amine
CID 55249827
1-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)cyclooctan-1-amine
CID 63726971
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)-1-propylazepan-4-amine
CID 65078460
1-(aminomethyl)-N-methyl-N-(oxolan-3-ylmethyl)cycloheptan-1-amine
CID 62008518
3-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63726456
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
4-(aminomethyl)-1-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]azepan-4-amine
CID 65076127
4-(aminomethyl)-N-methyl-N-(4-methylcyclohexyl)-1-propylazepan-4-amine
CID 65078813
4-(aminomethyl)-N-(cyclopentylmethyl)-N-methyloxepan-4-amine
CID 65079226

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine (CID 65075878) is 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine is CCCN1CCCC(CN)(N(C)CC2CCCOC2)CC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine?
The InChIKey is HJVIVUIKKGQMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-9-20-10-5-7-17(15-18,8-11-20)19(2)13-16-6-4-12-21-14-16/h16H,3-15,18H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine?
4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine has a molecular weight of 297.49 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(oxan-3-ylmethyl)-1-propylazepan-4-amine is sourced from PubChem (CID 65075878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).