N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine

C13H28N4 — CID 167282500

IUPACN-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine
SMILESCNCCNC1CN(CC2CN(C(C)C)C2)C1
InChIInChI=1S/C13H28N4/c1-11(2)17-7-12(8-17)6-16-9-13(10-16)15-5-4-14-3/h11-15H,4-10H2,1-3H3
InChIKeyCFBKWKYOYUTLRI-UHFFFAOYSA-N
MW240.39 g/mol
LogP-0.18
Rot. Bonds7

About N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine

N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine (PubChem CID 167282500) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine
PubChem CID167282500
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC NameN-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine
SMILESCNCCNC1CN(CC2CN(C(C)C)C2)C1
InChIInChI=1S/C13H28N4/c1-11(2)17-7-12(8-17)6-16-9-13(10-16)15-5-4-14-3/h11-15H,4-10H2,1-3H3
InChIKeyCFBKWKYOYUTLRI-UHFFFAOYSA-N
XLogP-0.18
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 170373804
N',N'-dimethyl-N-(1-propan-2-ylazetidin-3-yl)ethane-1,2-diamine
CID 166926926
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
N-(2-methylpropyl)-1-propan-2-ylazetidin-3-amine
CID 155088141
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
5-propan-2-yl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 164782571
N-[[1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513787
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
3-(4-methylphenyl)-1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidine
CID 142368102
N-(4-methylpentyl)-1-propan-2-ylpiperidin-4-amine
CID 61043784
N'-cyclopropyl-N-methylethane-1,2-diamine
CID 7171924
N-methyl-1-propan-2-ylazetidin-3-amine
CID 22952913

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine (CID 167282500) is N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine is CNCCNC1CN(CC2CN(C(C)C)C2)C1.
What is the InChIKey of N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine?
The InChIKey is CFBKWKYOYUTLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-11(2)17-7-12(8-17)6-16-9-13(10-16)15-5-4-14-3/h11-15H,4-10H2,1-3H3.
What are the key properties of N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine?
N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of -0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[1-[(1-propan-2-ylazetidin-3-yl)methyl]azetidin-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 167282500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).