N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide

C18H35N5O — CID 154607581

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide
SMILESNCC1CC(NCCC(=O)NC2CCCC3CCCCC32)NCN1
InChIInChI=1S/C18H35N5O/c19-11-14-10-17(22-12-21-14)20-9-8-18(24)23-16-7-3-5-13-4-1-2-6-15(13)16/h13-17,20-22H,1-12,19H2,(H,23,24)
InChIKeyUTRJBZPPXXLAQD-UHFFFAOYSA-N
MW337.51 g/mol
LogP0.63
Rot. Bonds6

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide (PubChem CID 154607581) has the molecular formula C18H35N5O and a molecular weight of 337.51 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide
PubChem CID154607581
Molecular FormulaC18H35N5O
Molecular Weight337.51 g/mol
Exact Mass337.28
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide
SMILESNCC1CC(NCCC(=O)NC2CCCC3CCCCC32)NCN1
InChIInChI=1S/C18H35N5O/c19-11-14-10-17(22-12-21-14)20-9-8-18(24)23-16-7-3-5-13-4-1-2-6-15(13)16/h13-17,20-22H,1-12,19H2,(H,23,24)
InChIKeyUTRJBZPPXXLAQD-UHFFFAOYSA-N
XLogP0.63
TPSA91.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 50.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide (CID 154607581) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide is NCC1CC(NCCC(=O)NC2CCCC3CCCCC32)NCN1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide?
The InChIKey is UTRJBZPPXXLAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N5O/c19-11-14-10-17(22-12-21-14)20-9-8-18(24)23-16-7-3-5-13-4-1-2-6-15(13)16/h13-17,20-22H,1-12,19H2,(H,23,24).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide has a molecular weight of 337.51 g/mol, XLogP of 0.63, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl)-3-[[6-(aminomethyl)-1,3-diazinan-4-yl]amino]propanamide is sourced from PubChem (CID 154607581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).