4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine

C11H19ClN2OS — CID 103390035

IUPAC4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCc1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2OS/c1-15-8-9(3-2-6-13)14-7-10-4-5-11(12)16-10/h4-5,9,14H,2-3,6-8,13H2,1H3
InChIKeyBKUTUTSQUYPYOL-UHFFFAOYSA-N
MW262.81 g/mol
LogP2.24
Rot. Bonds8

About 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine

4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine (PubChem CID 103390035) has the molecular formula C11H19ClN2OS and a molecular weight of 262.81 g/mol. Its IUPAC name is 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
PubChem CID103390035
Molecular FormulaC11H19ClN2OS
Molecular Weight262.81 g/mol
Exact Mass262.09
IUPAC Name4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine
SMILESCOCC(CCCN)NCc1ccc(Cl)s1
InChIInChI=1S/C11H19ClN2OS/c1-15-8-9(3-2-6-13)14-7-10-4-5-11(12)16-10/h4-5,9,14H,2-3,6-8,13H2,1H3
InChIKeyBKUTUTSQUYPYOL-UHFFFAOYSA-N
XLogP2.24
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
5-methoxy-4-N-(1,3-thiazol-2-ylmethyl)pentane-1,4-diamine
CID 103389503
5-methoxy-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pentane-1,4-diamine
CID 103389917
5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103390731
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
5-methoxy-4-N-(1H-pyrazol-4-ylmethyl)pentane-1,4-diamine
CID 103389358
N-[(5-chlorothiophen-2-yl)methyl]-2-methoxyethanamine
CID 28565625
4-N-(4-fluorophenyl)-5-methoxypentane-1,4-diamine
CID 103387248
3-[(5-tert-butylthiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103816323
5-methoxy-4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentane-1,4-diamine
CID 106391800
2-chloro-5-(3-chloro-4-methoxybutyl)thiophene
CID 62320206
3-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-4-methoxybutan-1-ol
CID 103527358

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine?
The IUPAC name of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine (CID 103390035) is 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine?
The canonical SMILES for 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine is COCC(CCCN)NCc1ccc(Cl)s1.
What is the InChIKey of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine?
The InChIKey is BKUTUTSQUYPYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2OS/c1-15-8-9(3-2-6-13)14-7-10-4-5-11(12)16-10/h4-5,9,14H,2-3,6-8,13H2,1H3.
What are the key properties of 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine?
4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine has a molecular weight of 262.81 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-chlorothiophen-2-yl)methyl]-5-methoxypentane-1,4-diamine is sourced from PubChem (CID 103390035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).