N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine

C15H34N2 — CID 62463714

IUPACN,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(C)C(C)CC(C)C
InChIInChI=1S/C15H34N2/c1-12(2)8-15(6)17(7)11-14(5)10-16-9-13(3)4/h12-16H,8-11H2,1-7H3
InChIKeyQKRYIWMKDPRWFK-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.23
Rot. Bonds9

About N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine

N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 62463714) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID62463714
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC NameN,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CNCC(C)CN(C)C(C)CC(C)C
InChIInChI=1S/C15H34N2/c1-12(2)8-15(6)17(7)11-14(5)10-16-9-13(3)4/h12-16H,8-11H2,1-7H3
InChIKeyQKRYIWMKDPRWFK-UHFFFAOYSA-N
XLogP3.23
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62422422
3-N,2-dimethyl-3-N-(4-methylpentan-2-yl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019594
CID 175939227
CID 175939227
2-N,2-N,4-trimethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43207889
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
3-methoxy-1-N,2-N-dimethyl-1-N-(4-methylpentan-2-yl)propane-1,2-diamine
CID 107505560
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 63498321
N,4-dimethyl-N-[[5-[(2-methylpropylamino)methyl]oxolan-2-yl]methyl]pentan-2-amine
CID 62461429
2,2-diethyl-N-methyl-N'-(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 62262271
2,3,5-trimethyl-N-(2-methylpropyl)hexan-1-amine
CID 81015110
2-methyl-N-(2-methylpropyl)-4-propoxybutan-1-amine
CID 79568932

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine (CID 62463714) is N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CNCC(C)CN(C)C(C)CC(C)C.
What is the InChIKey of N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is QKRYIWMKDPRWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-12(2)8-15(6)17(7)11-14(5)10-16-9-13(3)4/h12-16H,8-11H2,1-7H3.
What are the key properties of N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine?
N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(4-methylpentan-2-yl)-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 62463714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).