1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol

C16H35N3O — CID 54773489

IUPAC1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)CN1CCCNCC1
InChIInChI=1S/C16H35N3O/c1-14(2)10-19(11-15(3)4)13-16(20)12-18-8-5-6-17-7-9-18/h14-17,20H,5-13H2,1-4H3
InChIKeySZEVXZXHTFVUKU-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.26
Rot. Bonds8

About 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol

1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol (PubChem CID 54773489) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
PubChem CID54773489
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol
SMILESCC(C)CN(CC(C)C)CC(O)CN1CCCNCC1
InChIInChI=1S/C16H35N3O/c1-14(2)10-19(11-15(3)4)13-16(20)12-18-8-5-6-17-7-9-18/h14-17,20H,5-13H2,1-4H3
InChIKeySZEVXZXHTFVUKU-UHFFFAOYSA-N
XLogP1.26
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067068
(2R)-1-(1,4-diazepan-1-yl)-3-(diethylamino)propan-2-ol
CID 95067069
1-(1,4-diazepan-1-yl)-3-(dibutylamino)propan-2-ol
CID 54773490
1-[2-methoxyethyl(2-methylpropyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448121
1-(dipropylamino)-3-piperazin-1-ylpropan-2-ol
CID 54773428
1-[2-(dimethylamino)ethyl-propylamino]-3-piperazin-1-ylpropan-2-ol
CID 65448308
N'-[2-(1,4-diazepan-1-yl)ethyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62831308
(2S)-1-(1,4-diazepan-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 95067014
1-[ethyl(2,2,2-trifluoroethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450385
piperazine;1-piperazin-1-ylpropan-2-ol
CID 174899588
1-[3,3-dimethylbutan-2-yl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65450384
1-[cyclobutylmethyl(methyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448880

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol?
The IUPAC name of 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol (CID 54773489) is 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol is CC(C)CN(CC(C)C)CC(O)CN1CCCNCC1.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol?
The InChIKey is SZEVXZXHTFVUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-14(2)10-19(11-15(3)4)13-16(20)12-18-8-5-6-17-7-9-18/h14-17,20H,5-13H2,1-4H3.
What are the key properties of 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol?
1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol has a molecular weight of 285.48 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]-3-(1,4-diazepan-1-yl)propan-2-ol is sourced from PubChem (CID 54773489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).