N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide

C19H38N4O — CID 121359032

IUPACN-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide
SMILESCCNCC1(N)CCCC(CNCC2(NC(C)=O)CCCCC2)C1
InChIInChI=1S/C19H38N4O/c1-3-21-14-18(20)9-7-8-17(12-18)13-22-15-19(23-16(2)24)10-5-4-6-11-19/h17,21-22H,3-15,20H2,1-2H3,(H,23,24)
InChIKeyTVXLTYJHHPMERH-UHFFFAOYSA-N
MW338.54 g/mol
LogP1.91
Rot. Bonds8

About N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide

N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide (PubChem CID 121359032) has the molecular formula C19H38N4O and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide
PubChem CID121359032
Molecular FormulaC19H38N4O
Molecular Weight338.54 g/mol
Exact Mass338.30
IUPAC NameN-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide
SMILESCCNCC1(N)CCCC(CNCC2(NC(C)=O)CCCCC2)C1
InChIInChI=1S/C19H38N4O/c1-3-21-14-18(20)9-7-8-17(12-18)13-22-15-19(23-16(2)24)10-5-4-6-11-19/h17,21-22H,3-15,20H2,1-2H3,(H,23,24)
InChIKeyTVXLTYJHHPMERH-UHFFFAOYSA-N
XLogP1.91
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide (CID 121359032) is N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide is CCNCC1(N)CCCC(CNCC2(NC(C)=O)CCCCC2)C1.
What is the InChIKey of N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide?
The InChIKey is TVXLTYJHHPMERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N4O/c1-3-21-14-18(20)9-7-8-17(12-18)13-22-15-19(23-16(2)24)10-5-4-6-11-19/h17,21-22H,3-15,20H2,1-2H3,(H,23,24).
What are the key properties of N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide?
N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide has a molecular weight of 338.54 g/mol, XLogP of 1.91, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[[3-amino-3-(ethylaminomethyl)cyclohexyl]methylamino]methyl]cyclohexyl]acetamide is sourced from PubChem (CID 121359032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).