cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate

C18H28N4O2 — CID 163963342

IUPACcyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
SMILESNCCN(CCN)CCNC(=O)OCc1ccccccccc1
InChIInChI=1S/C18H28N4O2/c19-10-13-22(14-11-20)15-12-21-18(23)24-16-17-8-6-4-2-1-3-5-7-9-17/h1-9H,10-16,19-20H2,(H,21,23)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,17-8+,17-9+
InChIKeySJLJADKIPAWRDK-MDONJTKSSA-N
MW332.45 g/mol
LogP1.26
Rot. Bonds9

About cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate

cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate (PubChem CID 163963342) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate.

Molecular Properties

Compound Namecyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
PubChem CID163963342
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Namecyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate
SMILESNCCN(CCN)CCNC(=O)OCc1ccccccccc1
InChIInChI=1S/C18H28N4O2/c19-10-13-22(14-11-20)15-12-21-18(23)24-16-17-8-6-4-2-1-3-5-7-9-17/h1-9H,10-16,19-20H2,(H,21,23)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,17-8+,17-9+
InChIKeySJLJADKIPAWRDK-MDONJTKSSA-N
XLogP1.26
TPSA93.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-(3-aminopropyl)carbamate;hydron;chloride
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benzyl N-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
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benzyl N-[3-(diethylamino)propyl]carbamate
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benzyl N-[4-(4-aminobutylamino)butyl]carbamate
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benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
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benzyl N-[2-(methylamino)ethyl]carbamate
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2-phenylmethoxyethyl N-(2-aminoethyl)carbamate
CID 129321267

Frequently Asked Questions

What is the IUPAC name of cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate?
The IUPAC name of cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate (CID 163963342) is cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate.
What is the SMILES notation for cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate?
The canonical SMILES for cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate is NCCN(CCN)CCNC(=O)OCc1ccccccccc1.
What is the InChIKey of cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate?
The InChIKey is SJLJADKIPAWRDK-MDONJTKSSA-N. The full InChI is InChI=1S/C18H28N4O2/c19-10-13-22(14-11-20)15-12-21-18(23)24-16-17-8-6-4-2-1-3-5-7-9-17/h1-9H,10-16,19-20H2,(H,21,23)/b2-1-,3-1-,4-2-,5-3+,6-4+,7-5+,8-6+,9-7-,17-8+,17-9+.
What are the key properties of cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate?
cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate has a molecular weight of 332.45 g/mol, XLogP of 1.26, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecapentaenylmethyl N-[2-[bis(2-aminoethyl)amino]ethyl]carbamate is sourced from PubChem (CID 163963342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).