2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine

C21H50N6 — CID 126621384

IUPAC2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine
SMILESCC(CCC(C)NCCNCCNC(C)C)CNCCNCCNC(C)C
InChIInChI=1S/C21H50N6/c1-18(2)25-14-11-22-9-10-24-17-20(5)7-8-21(6)27-16-13-23-12-15-26-19(3)4/h18-27H,7-17H2,1-6H3
InChIKeyFVLQEZCTTCWSFS-UHFFFAOYSA-N
MW386.67 g/mol
LogP1.15
Rot. Bonds20

About 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine

2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine (PubChem CID 126621384) has the molecular formula C21H50N6 and a molecular weight of 386.67 g/mol. Its IUPAC name is 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine
PubChem CID126621384
Molecular FormulaC21H50N6
Molecular Weight386.67 g/mol
Exact Mass386.41
IUPAC Name2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine
SMILESCC(CCC(C)NCCNCCNC(C)C)CNCCNCCNC(C)C
InChIInChI=1S/C21H50N6/c1-18(2)25-14-11-22-9-10-24-17-20(5)7-8-21(6)27-16-13-23-12-15-26-19(3)4/h18-27H,7-17H2,1-6H3
InChIKeyFVLQEZCTTCWSFS-UHFFFAOYSA-N
XLogP1.15
TPSA72.18 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.67
LogP ≤ 51.15
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(butan-2-ylamino)ethyl]-N-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 88982125
1-N,5-N-diethyl-2-methylhexane-1,5-diamine
CID 129202816
1-[2-(propan-2-ylamino)ethylamino]propan-2-ol
CID 104594507
N-ethyl-N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine
CID 126619829
N'-[2-[2-[2-(propan-2-ylamino)ethylamino]ethylamino]ethyl]ethane-1,2-diamine
CID 87748300
N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
N-(2,5-dimethylhexyl)-2,5-dimethylhexan-1-amine
CID 19083274
N,N'-bis[2-(2-methylpropylamino)ethyl]ethane-1,2-diamine
CID 54452976
2-methylpropan-1-amine;N'-[2-(propan-2-ylamino)ethyl]ethane-1,2-diamine;N'-propan-2-ylethane-1,2-diamine
CID 157159870
2-[2-(hexadecan-2-ylamino)ethylamino]ethanol
CID 102117969
N-(4-aminobutan-2-yl)-N'-(3-aminopropyl)-2-methylbutane-1,4-diamine
CID 142765036
(2S)-2-methyl-N-propan-2-ylpentan-1-amine
CID 28610224

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine?
The IUPAC name of 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine (CID 126621384) is 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine.
What is the SMILES notation for 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine?
The canonical SMILES for 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine is CC(CCC(C)NCCNCCNC(C)C)CNCCNCCNC(C)C.
What is the InChIKey of 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine?
The InChIKey is FVLQEZCTTCWSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H50N6/c1-18(2)25-14-11-22-9-10-24-17-20(5)7-8-21(6)27-16-13-23-12-15-26-19(3)4/h18-27H,7-17H2,1-6H3.
What are the key properties of 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine?
2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine has a molecular weight of 386.67 g/mol, XLogP of 1.15, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N,5-N-bis[2-[2-(propan-2-ylamino)ethylamino]ethyl]hexane-1,5-diamine is sourced from PubChem (CID 126621384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).