2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine

C13H28N2O — CID 116501671

IUPAC2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)C(C)COC
InChIInChI=1S/C13H28N2O/c1-4-7-15(9-12-5-6-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyUNSXKZLVLLSMKW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds9

About 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine (PubChem CID 116501671) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
PubChem CID116501671
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)C(C)COC
InChIInChI=1S/C13H28N2O/c1-4-7-15(9-12-5-6-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyUNSXKZLVLLSMKW-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 79527070
2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
CID 43752757
2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
CID 66270133
2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
CID 61440618
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-3-methyl-2-N-propylbutane-1,2-diamine
CID 62429335
2-N-(cyclopropylmethyl)-2-N-propylnonane-1,2-diamine
CID 63472517
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 62430049
2-N-(cyclopropylmethyl)-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60710078
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
2-N-ethyl-4-methoxy-2-N-(1-methoxypropan-2-yl)-3-methylbutane-1,2-diamine
CID 116501699
1-N-butyl-2-N-(cyclopropylmethyl)-2-N-propylpropane-1,2-diamine
CID 62568153
3-N-(cyclopropylmethyl)-2-methyl-1-N-(2-methylpropyl)-3-N-propylbutane-1,3-diamine
CID 81012962

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine (CID 116501671) is 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine is CCCN(CC1CC1)C(CN)C(C)COC.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine?
The InChIKey is UNSXKZLVLLSMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-7-15(9-12-5-6-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 116501671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).