5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine

C12H26N2O — CID 103391921

IUPAC5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)N(C)CC1CC1C
InChIInChI=1S/C12H26N2O/c1-10-7-11(10)8-14(2)12(9-15-3)5-4-6-13/h10-12H,4-9,13H2,1-3H3
InChIKeyIMZYTLQFAHGIEW-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.33
Rot. Bonds8

About 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine

5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine (PubChem CID 103391921) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
PubChem CID103391921
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
SMILESCOCC(CCCN)N(C)CC1CC1C
InChIInChI=1S/C12H26N2O/c1-10-7-11(10)8-14(2)12(9-15-3)5-4-6-13/h10-12H,4-9,13H2,1-3H3
InChIKeyIMZYTLQFAHGIEW-UHFFFAOYSA-N
XLogP1.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 104682229
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
CID 103392024
4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 66268815
4-methoxy-2-N,4-dimethyl-2-N-[(2-methylcyclopropyl)methyl]pentane-1,2-diamine
CID 106675705
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine
CID 103391992
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 103391776
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
CID 107402945
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
5-methoxy-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391759

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine (CID 103391921) is 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine is COCC(CCCN)N(C)CC1CC1C.
What is the InChIKey of 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
The InChIKey is IMZYTLQFAHGIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10-7-11(10)8-14(2)12(9-15-3)5-4-6-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine?
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine is sourced from PubChem (CID 103391921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).