N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine

C14H30N2O — CID 65254443

IUPACN',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
SMILESCN(CCCC(C)(C)CN)CC1CCOCC1
InChIInChI=1S/C14H30N2O/c1-14(2,12-15)7-4-8-16(3)11-13-5-9-17-10-6-13/h13H,4-12,15H2,1-3H3
InChIKeyNJIDZEGRSZXAAU-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.11
Rot. Bonds7

About N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine

N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine (PubChem CID 65254443) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
PubChem CID65254443
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
SMILESCN(CCCC(C)(C)CN)CC1CCOCC1
InChIInChI=1S/C14H30N2O/c1-14(2,12-15)7-4-8-16(3)11-13-5-9-17-10-6-13/h13H,4-12,15H2,1-3H3
InChIKeyNJIDZEGRSZXAAU-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine (CID 65254443) is N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine is CN(CCCC(C)(C)CN)CC1CCOCC1.
What is the InChIKey of N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
The InChIKey is NJIDZEGRSZXAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,12-15)7-4-8-16(3)11-13-5-9-17-10-6-13/h13H,4-12,15H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine?
N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 65254443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).