benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate

C17H28N2O2 — CID 138644331

IUPACbenzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
SMILESCCCN(CCC(CC)CN)C(=O)OCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-11-19(12-10-15(4-2)13-18)17(20)21-14-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14,18H2,1-2H3
InChIKeyZBHGCFFKJIHFBX-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.41
Rot. Bonds9

About benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate

benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate (PubChem CID 138644331) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate.

Molecular Properties

Compound Namebenzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
PubChem CID138644331
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Namebenzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate
SMILESCCCN(CCC(CC)CN)C(=O)OCc1ccccc1
InChIInChI=1S/C17H28N2O2/c1-3-11-19(12-10-15(4-2)13-18)17(20)21-14-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14,18H2,1-2H3
InChIKeyZBHGCFFKJIHFBX-UHFFFAOYSA-N
XLogP3.41
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(2-phenylethyl)-N-propylcarbamate
CID 141214561
benzyl N-ethyl-N-propylcarbamate
CID 126656974
2-phenylethyl N,N-dipropylcarbamate
CID 11096967
benzyl N,N-bis(2-hydroxyethyl)carbamate
CID 23498447
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
benzyl N-(2-carbamoyloxyethyl)-N-(3,3-diphenylpropyl)carbamate
CID 59728985
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
benzyl N-ethyl-N-(2-methylpropyl)carbamate
CID 130580876
benzyl N,N-dimethylcarbamate
CID 12963450
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
3-(aminomethyl)-N,N-dibenzylpentanamide
CID 130162934
benzyl N-[2-[(2-aminoacetyl)amino]-2-methylpropyl]-N-[(3S)-3-hydroxyhexyl]carbamate
CID 66768296

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate?
The IUPAC name of benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate (CID 138644331) is benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate.
What is the SMILES notation for benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate?
The canonical SMILES for benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate is CCCN(CCC(CC)CN)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate?
The InChIKey is ZBHGCFFKJIHFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-11-19(12-10-15(4-2)13-18)17(20)21-14-16-8-6-5-7-9-16/h5-9,15H,3-4,10-14,18H2,1-2H3.
What are the key properties of benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate?
benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate has a molecular weight of 292.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(aminomethyl)pentyl]-N-propylcarbamate is sourced from PubChem (CID 138644331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).