2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine

C14H30N2O — CID 55087661

IUPAC2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)15-10-12(3)16(4)11-14-8-7-9-17-14/h12-15H,5-11H2,1-4H3
InChIKeyWJTWPDVVZHDCRH-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.26
Rot. Bonds8

About 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine

2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine (PubChem CID 55087661) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
PubChem CID55087661
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
SMILESCCC(CC)NCC(C)N(C)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-5-13(6-2)15-10-12(3)16(4)11-14-8-7-9-17-14/h12-15H,5-11H2,1-4H3
InChIKeyWJTWPDVVZHDCRH-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-ethyl-2-N,3-dimethyl-2-N-(oxolan-2-ylmethyl)butane-1,2-diamine
CID 62435187
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
1-N,3-N,2-trimethyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 79409368
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863
1-N-cyclopropyl-4-N-methyl-4-N-(oxolan-2-ylmethyl)pentane-1,4-diamine
CID 62435890
3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-2,3-diamine
CID 61431543
N-(oxolan-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 22975536
1-N-cyclopropyl-3-N-methyl-3-N-(oxan-2-ylmethyl)butane-1,3-diamine
CID 62428882
3-[methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61431844
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573
2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64728090

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine (CID 55087661) is 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine is CCC(CC)NCC(C)N(C)CC1CCCO1.
What is the InChIKey of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine?
The InChIKey is WJTWPDVVZHDCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-13(6-2)15-10-12(3)16(4)11-14-8-7-9-17-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine?
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine is sourced from PubChem (CID 55087661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).