(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine

C15H34N2 — CID 170265960

IUPAC(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
SMILESCC[C@@H](C)CN(C)CCC(C)[C@H](C)CN(C)C
InChIInChI=1S/C15H34N2/c1-8-13(2)11-17(7)10-9-14(3)15(4)12-16(5)6/h13-15H,8-12H2,1-7H3/t13-,14?,15-/m1/s1
InChIKeyFTHITWJABJRULY-GIJJTGMTSA-N
MW242.45 g/mol
LogP3.19
Rot. Bonds9

About (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine

(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine (PubChem CID 170265960) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine.

Molecular Properties

Compound Name(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
PubChem CID170265960
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
SMILESCC[C@@H](C)CN(C)CCC(C)[C@H](C)CN(C)C
InChIInChI=1S/C15H34N2/c1-8-13(2)11-17(7)10-9-14(3)15(4)12-16(5)6/h13-15H,8-12H2,1-7H3/t13-,14?,15-/m1/s1
InChIKeyFTHITWJABJRULY-GIJJTGMTSA-N
XLogP3.19
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
carbanide;rutherfordium;N,N,2-trimethylbutan-1-amine
CID 166075746
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine
CID 61288758
ethyl 2-amino-4-[methyl(2-methylbutyl)amino]butanoate
CID 63029409
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
1-N,3-N-diethyl-1-N-methyl-3-N-(2-methylbutyl)pentane-1,3-diamine
CID 170117708
(3S)-N,3-dimethyl-N-propylpentan-1-amine
CID 144585217

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine?
The IUPAC name of (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine (CID 170265960) is (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine.
What is the SMILES notation for (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine?
The canonical SMILES for (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine is CC[C@@H](C)CN(C)CCC(C)[C@H](C)CN(C)C.
What is the InChIKey of (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine?
The InChIKey is FTHITWJABJRULY-GIJJTGMTSA-N. The full InChI is InChI=1S/C15H34N2/c1-8-13(2)11-17(7)10-9-14(3)15(4)12-16(5)6/h13-15H,8-12H2,1-7H3/t13-,14?,15-/m1/s1.
What are the key properties of (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine?
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.19, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine is sourced from PubChem (CID 170265960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).