N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine

C12H26N2O — CID 103152316

IUPACN'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
SMILESCCCCN(CCC(CN)OC)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-4-8-14(11-5-6-11)9-7-12(10-13)15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyFHCFGLPCBGWYFU-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.61
Rot. Bonds9

About N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine

N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine (PubChem CID 103152316) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine.

Molecular Properties

Compound NameN'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
PubChem CID103152316
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine
SMILESCCCCN(CCC(CN)OC)C1CC1
InChIInChI=1S/C12H26N2O/c1-3-4-8-14(11-5-6-11)9-7-12(10-13)15-2/h11-12H,3-10,13H2,1-2H3
InChIKeyFHCFGLPCBGWYFU-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[butyl(cyclopropyl)amino]butan-2-ol
CID 64819553
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)pentane-1,5-diamine
CID 82684072
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
CID 66222322
N'-cyclopropyl-N'-(furan-2-ylmethyl)-2-methoxybutane-1,4-diamine
CID 103152377
methyl 4-[butyl(cyclopropyl)amino]-2-(cyclopropylamino)butanoate
CID 55142969
N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
CID 65233123
N'-cyclopropyl-N'-nonylethane-1,2-diamine
CID 61349746
N'-cyclopropyl-N'-hexylpropane-1,3-diamine
CID 43137504
N'-cyclopropyl-2-ethyl-N'-propylbutane-1,4-diamine
CID 81080581
2-methoxy-N'-methyl-N'-[(2-methylcyclopropyl)methyl]butane-1,4-diamine
CID 103152563
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine?
The IUPAC name of N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine (CID 103152316) is N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine.
What is the SMILES notation for N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine?
The canonical SMILES for N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine is CCCCN(CCC(CN)OC)C1CC1.
What is the InChIKey of N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine?
The InChIKey is FHCFGLPCBGWYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-8-14(11-5-6-11)9-7-12(10-13)15-2/h11-12H,3-10,13H2,1-2H3.
What are the key properties of N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine?
N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-cyclopropyl-2-methoxybutane-1,4-diamine is sourced from PubChem (CID 103152316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).