2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine

C15H29N3 — CID 66412673

IUPAC2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
SMILESCCCn1cccc1CNCC(C(C)C)N(C)C
InChIInChI=1S/C15H29N3/c1-6-9-18-10-7-8-14(18)11-16-12-15(13(2)3)17(4)5/h7-8,10,13,15-16H,6,9,11-12H2,1-5H3
InChIKeyKOXIPACBGWYTLX-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.57
Rot. Bonds8

About 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine (PubChem CID 66412673) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
PubChem CID66412673
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
SMILESCCCn1cccc1CNCC(C(C)C)N(C)C
InChIInChI=1S/C15H29N3/c1-6-9-18-10-7-8-14(18)11-16-12-15(13(2)3)17(4)5/h7-8,10,13,15-16H,6,9,11-12H2,1-5H3
InChIKeyKOXIPACBGWYTLX-UHFFFAOYSA-N
XLogP2.57
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 115405916
2-methyl-3-[(1-propylpyrrol-2-yl)methylamino]propan-1-ol
CID 66443446
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
3-methyl-N-[(1-propylpyrrol-2-yl)methyl]butan-2-amine
CID 66411114
N-[(1-propylpyrrol-2-yl)methyl]pentan-1-amine
CID 66411473
1-(4-methylphenyl)-N-[(1-propylpyrrol-2-yl)methyl]methanamine
CID 66413651
N-ethyl-N-methyl-2-[(1-propylpyrrol-2-yl)methylamino]acetamide
CID 107640510
N-[(2,5-difluorophenyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 66443439
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
1-[(1-ethylpyrrol-2-yl)methylamino]propan-2-ol
CID 66411513
(1S)-1-phenyl-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 81351106
(2S)-1-[[1-(3-methylbutyl)pyrrol-2-yl]methylamino]propan-2-ol
CID 103884133

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine (CID 66412673) is 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine is CCCn1cccc1CNCC(C(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine?
The InChIKey is KOXIPACBGWYTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-9-18-10-7-8-14(18)11-16-12-15(13(2)3)17(4)5/h7-8,10,13,15-16H,6,9,11-12H2,1-5H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine has a molecular weight of 251.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 66412673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).