N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine

C14H30N2O — CID 106707977

IUPACN',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
SMILESCN(CCCCC(C)(C)CN)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-14(2,12-15)8-4-5-9-16(3)11-13-7-6-10-17-13/h13H,4-12,15H2,1-3H3
InChIKeyKFRULDMEABONPA-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.25
Rot. Bonds8

About N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine

N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine (PubChem CID 106707977) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
PubChem CID106707977
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
SMILESCN(CCCCC(C)(C)CN)CC1CCCO1
InChIInChI=1S/C14H30N2O/c1-14(2,12-15)8-4-5-9-16(3)11-13-7-6-10-17-13/h13H,4-12,15H2,1-3H3
InChIKeyKFRULDMEABONPA-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
N',2,2-trimethyl-N'-[3-(oxolan-2-yl)propyl]propane-1,3-diamine
CID 79652271
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
CID 106712008
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N'-methyl-N'-(oxolan-2-ylmethyl)-N-propylbutane-1,4-diamine
CID 62435535
2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64827729
2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine?
The IUPAC name of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine (CID 106707977) is N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine is CN(CCCCC(C)(C)CN)CC1CCCO1.
What is the InChIKey of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine?
The InChIKey is KFRULDMEABONPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-14(2,12-15)8-4-5-9-16(3)11-13-7-6-10-17-13/h13H,4-12,15H2,1-3H3.
What are the key properties of N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine?
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine has a molecular weight of 242.41 g/mol, XLogP of 2.25, 8 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'-(oxolan-2-ylmethyl)hexane-1,6-diamine is sourced from PubChem (CID 106707977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).