2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine

C13H28N2O2 — CID 66270133

IUPAC2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)CC(OC)OC
InChIInChI=1S/C13H28N2O2/c1-4-7-15(10-11-5-6-11)12(9-14)8-13(16-2)17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyBVRLLMJJXCBLPL-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.44
Rot. Bonds10

About 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine

2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine (PubChem CID 66270133) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
PubChem CID66270133
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine
SMILESCCCN(CC1CC1)C(CN)CC(OC)OC
InChIInChI=1S/C13H28N2O2/c1-4-7-15(10-11-5-6-11)12(9-14)8-13(16-2)17-3/h11-13H,4-10,14H2,1-3H3
InChIKeyBVRLLMJJXCBLPL-UHFFFAOYSA-N
XLogP1.44
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-propylhexane-1,2-diamine
CID 61440618
2-N-(cyclopropylmethyl)-2-N-propylnonane-1,2-diamine
CID 63472517
2-N-(cyclopropylmethyl)-4-methylsulfanyl-2-N-propylbutane-1,2-diamine
CID 60710078
2-N-(cyclopropylmethyl)-4-methoxy-3-methyl-2-N-propylbutane-1,2-diamine
CID 116501671
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
4,4-dimethoxy-2-N-(2-methoxyethyl)-2-N-(3-methoxypropyl)butane-1,2-diamine
CID 66268426
3-[cyclopropylmethyl(propyl)amino]pentanethioamide
CID 61441831
2-N-ethyl-4,4-dimethoxy-2-N-methylbutane-1,2-diamine
CID 66268420
2-N-(cyclopropylmethyl)-1-N-propan-2-yl-2-N-propylbutane-1,2-diamine
CID 62430407
4,4-dimethoxy-2-N-methyl-2-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
CID 66268815
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine (CID 66270133) is 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine is CCCN(CC1CC1)C(CN)CC(OC)OC.
What is the InChIKey of 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
The InChIKey is BVRLLMJJXCBLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-15(10-11-5-6-11)12(9-14)8-13(16-2)17-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine?
2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopropylmethyl)-4,4-dimethoxy-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 66270133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).